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

Systemtic Name: 4-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[(5Z)-5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCCCC#N

InChI

InChI=1S/C21H19N5S/c1-15-7-6-8-16(13-15)26-20(24-25-21(26)27-12-5-4-11-22)18-14-23-19-10-3-2-9-17(18)19/h2-3,6-10,13-14,24H,4-5,12H2,1H3/b20-18-