3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]benzonitrile IUPAC Name: 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]benzonitrile Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C12H11N5S/c13-7-9-2-1-3-10(6-9)8-18-12-14-15-16-17(12)11-4-5-11/h1-3,6,11H,4-5,8H2