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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

C=CCN1C=NN=C1SCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

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