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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCCC#N

InChI

InChI=1S/C11H11N5S/c12-8-4-5-9-17-11-13-14-15-16(11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2