3-[[3-indol-3-ylidene-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[[3-indol-3-ylidene-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl-methyl-amino]propanenitrile Openeye Name: 3-[[3-indol-3-ylidene-4-(m-tolyl)-5-thioxo-1,2,4-triazolidin-1-yl]methyl-methyl-amino]propanenitrile CAS Name: 3-[[3-(3-indolylidene)-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl-methylamino]propanenitrile IUPAC Name: 3-[[3-indol-3-ylidene-4-(3-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl-methylamino]propanenitrile Traditional Name: 3-[[3-indol-3-ylidene-4-(m-tolyl)-5-thioxo-1,2,4-triazolidin-1-yl]methyl-methyl-amino]propionitrile Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN(C2=S)CN(C)CCC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN(C2=S)CN(C)CCC#N

InChI

InChI=1S/C22H22N6S/c1-16-7-5-8-17(13-16)28-21(19-14-24-20-10-4-3-9-18(19)20)25-27(22(28)29)15-26(2)12-6-11-23/h3-5,7-10,13-14,25H,6,12,15H2,1-2H3