5-[2-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-1,3-benzothiazol-3-ium-3-yl]pentan-1-olate

Systemtic Name: 5-[2-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-1,3-benzothiazol-3-ium-3-yl]pentan-1-olate Openeye Name: 5-[2-[(Z)-(3-methyl-4-phenyl-thiazol-2-ylidene)amino]-1,3-benzothiazol-3-ium-3-yl]pentan-1-olate CAS Name: 5-[2-[(Z)-(3-methyl-4-phenyl-2-thiazolylidene)amino]-1,3-benzothiazol-3-ium-3-yl]-1-pentanolate IUPAC Name: 5-[2-[(Z)-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-1,3-benzothiazol-3-ium-3-yl]pentan-1-olate Traditional Name: 5-[2-[(Z)-(3-methyl-4-phenyl-4-thiazolin-2-ylidene)amino]-1,3-benzothiazol-3-ium-3-yl]pentan-1-olate Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CSC1=NC2=[N+](C3=CC=CC=C3S2)CCCCC[O-])C4=CC=CC=C4

Isomeric SMILES

CN\1C(=CS/C1=N\C2=[N+](C3=CC=CC=C3S2)CCCCC[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H23N3OS2/c1-24-19(17-10-4-2-5-11-17)16-27-21(24)23-22-25(14-8-3-9-15-26)18-12-6-7-13-20(18)28-22/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3