N-[(5E)-2-[(E)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenyl-aniline perchlorate

Systemtic Name: N-[(5E)-2-[(E)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloranyl-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenyl-aniline perchlorate Openeye Name: N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenyl-aniline perchlorate CAS Name: N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-cyclopentenyl]-N-phenylaniline perchlorate IUPAC Name: N-[(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-N-phenylaniline perchlorate Traditional Name: [(5E)-2-[(E)-2-(5-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-5-[(2Z)-2-(5-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]-diphenyl-amine perchlorate Formula: C39H34Cl3N3O4S2 MolecularWeight: 779.19396

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Cl)SC1=CC=C3CCC(=C3N(C4=CC=CC=C4)C5=CC=CC=C5)C=CC6=[N+](C7=C(S6)C=CC(=C7)Cl)CC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)Cl)S/C1=C\C=C\3/CCC(=C3N(C4=CC=CC=C4)C5=CC=CC=C5)/C=C/C6=[N+](C7=C(S6)C=CC(=C7)Cl)CC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C39H34Cl2N3S2.ClHO4/c1-3-42-33-25-29(40)19-21-35(33)45-37(42)23-17-27-15-16-28(18-24-38-43(4-2)34-26-30(41)20-22-36(34)46-38)39(27)44(31-11-7-5-8-12-31)32-13-9-6-10-14-32;2-1(3,4)5/h5-14,17-26H,3-4,15-16H2,1-2H3;(H,2,3,4,5)/q+1;/p-1