3-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[(5Z)-4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C22H20ClN5OS MolecularWeight: 437.9451

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H20ClN5OS/c23-14-8-10-15(11-9-14)28-20(17-13-25-18-6-2-1-5-16(17)18)26-27-22(28)30-19-7-3-4-12-24-21(19)29/h1-2,5-6,8-11,13,19,26H,3-4,7,12H2,(H,24,29)/b20-17-