3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C19H16N4S MolecularWeight: 332.42214

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C19H16N4S/c1-2-11-23-18(17-9-4-3-5-10-17)21-22-19(23)24-14-16-8-6-7-15(12-16)13-20/h2-10,12H,1,11,14H2