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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pentanenitrile Openeye Name: 3-(1-phenyltetrazol-5-yl)sulfanylpentanenitrile CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]pentanenitrile IUPAC Name: 3-(1-phenyltetrazol-5-yl)sulfanylpentanenitrile Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]valeronitrile Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5S/c1-2-11(8-9-13)18-12-14-15-16-17(12)10-6-4-3-5-7-10/h3-7,11H,2,8H2,1H3