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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-cyclopropyl-4-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:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C19H16N4S/c20-12-15-6-4-5-7-16(15)13-24-19-22-21-18(14-10-11-14)23(19)17-8-2-1-3-9-17/h1-9,14H,10-11,13H2