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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1C(C2=CC=C(C=C2)C#N)S)C3=CC=CC=C3

InChI

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