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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanenitrile Openeye Name: 3-(1-phenyltetrazol-5-yl)sulfanylbutanenitrile CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]butanenitrile IUPAC Name: 3-(1-phenyltetrazol-5-yl)sulfanylbutanenitrile Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]butyronitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)SC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(CC#N)SC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C11H11N5S/c1-9(7-8-12)17-11-13-14-15-16(11)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3