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

Systemtic Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[(5Z)-4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H12ClN5S MolecularWeight: 365.83938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5S/c19-12-5-7-13(8-6-12)24-17(22-23-18(24)25-10-9-20)15-11-21-16-4-2-1-3-14(15)16/h1-8,11,22H,10H2/b17-15-