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

Systemtic Name: 4-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[(5Z)-5-(3-indolylidene)-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[(5Z)-5-indol-3-ylidene-4-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[(5Z)-5-indol-3-ylidene-4-(m-tolyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C25H19N5S MolecularWeight: 421.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H19N5S/c1-17-5-4-6-20(13-17)30-24(22-15-27-23-8-3-2-7-21(22)23)28-29-25(30)31-16-19-11-9-18(14-26)10-12-19/h2-13,15,28H,16H2,1H3/b24-22-