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

Systemtic Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Openeye Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile CAS Name: 2-[[[(5Z)-4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]methyl]pentanedinitrile IUPAC Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]methyl]glutaronitrile Formula: C22H17ClN6S MolecularWeight: 432.92858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3NN=C(N3C4=CC=C(C=C4)Cl)SCC(CCC#N)C#N)C=N2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\3/NN=C(N3C4=CC=C(C=C4)Cl)SCC(CCC#N)C#N)/C=N2

InChI

InChI=1S/C22H17ClN6S/c23-16-7-9-17(10-8-16)29-21(19-13-26-20-6-2-1-5-18(19)20)27-28-22(29)30-14-15(12-25)4-3-11-24/h1-2,5-10,13,15,27H,3-4,14H2/b21-19-