2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC#N

InChI

InChI=1S/C13H12N4S/c14-8-9-18-13-16-15-12(10-6-7-10)17(13)11-4-2-1-3-5-11/h1-5,10H,6-7,9H2