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

Systemtic Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C10H8N4S MolecularWeight: 216.26232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=NC(=N2)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC#N

InChI

InChI=1S/C10H8N4S/c11-6-7-15-10-12-8-14(13-10)9-4-2-1-3-5-9/h1-5,8H,7H2