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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanenitrile Openeye Name: 3-(1-phenyltetrazol-5-yl)sulfanylpropanenitrile CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]propanenitrile IUPAC Name: 3-(1-phenyltetrazol-5-yl)sulfanylpropanenitrile Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]propionitrile Formula: C10H9N5S MolecularWeight: 231.27696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N5S/c11-7-4-8-16-10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2