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

Systemtic Name: 4-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(=O)CCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4OS/c1-13(26)10-11-27-20-24-23-19(25(20)15-8-6-14(21)7-9-15)17-12-22-18-5-3-2-4-16(17)18/h2-9,12,23H,10-11H2,1H3