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

Systemtic Name: 3-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-(4-chlorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-(4-chlorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]propionitrile Formula: C19H14ClN5S MolecularWeight: 379.86596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN5S/c20-13-6-8-14(9-7-13)25-18(23-24-19(25)26-11-3-10-21)16-12-22-17-5-2-1-4-15(16)17/h1-2,4-9,12,23H,3,11H2