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

Systemtic Name: 3-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[(5Z)-5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SC5CCCCNC5=O

Isomeric SMILES

CC1=CC(=CC=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SC5CCCCNC5=O

InChI

InChI=1S/C23H23N5OS/c1-15-7-6-8-16(13-15)28-21(18-14-25-19-10-3-2-9-17(18)19)26-27-23(28)30-20-11-4-5-12-24-22(20)29/h2-3,6-10,13-14,20,26H,4-5,11-12H2,1H3,(H,24,29)/b21-18-