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

Systemtic Name: 2-[(2-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanenitrile Openeye Name: 2-(2-phenyltetrazol-5-yl)sulfanylacetonitrile CAS Name: 2-[(2-phenyl-5-tetrazolyl)thio]acetonitrile IUPAC Name: 2-(2-phenyltetrazol-5-yl)sulfanylacetonitrile Traditional Name: 2-[(2-phenyltetrazol-5-yl)thio]acetonitrile Formula: C9H7N5S MolecularWeight: 217.25038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C(N=N2)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2N=C(N=N2)SCC#N

InChI

InChI=1S/C9H7N5S/c10-6-7-15-9-11-13-14(12-9)8-4-2-1-3-5-8/h1-5H,7H2