N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide

Systemtic Name: N-[[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide CAS Name: N-[[[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]amino]-sulfanylidenemethyl]-5-(4-chlorophenyl)-2-furancarboxamide IUPAC Name: N-[[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Traditional Name: N-[[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]thiocarbamoyl]-5-(4-chlorophenyl)-2-furamide Formula: C28H23Cl2N5O2S MolecularWeight: 564.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H23Cl2N5O2S/c1-2-3-4-17-5-11-20(12-6-17)35-33-23-15-21(30)22(16-24(23)34-35)31-28(38)32-27(36)26-14-13-25(37-26)18-7-9-19(29)10-8-18/h5-16H,2-4H2,1H3,(H2,31,32,36,38)