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

Systemtic Name: 2-[(1-pyridin-3-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[1-(3-pyridyl)tetrazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[1-(3-pyridinyl)-5-tetrazolyl]thio]methyl]benzonitrile IUPAC Name: 2-[(1-pyridin-3-yltetrazol-5-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[[1-(3-pyridyl)tetrazol-5-yl]thio]methyl]benzonitrile Formula: C14H10N6S MolecularWeight: 294.3344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=NN2C3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=NN2C3=CN=CC=C3)C#N

InChI

InChI=1S/C14H10N6S/c15-8-11-4-1-2-5-12(11)10-21-14-17-18-19-20(14)13-6-3-7-16-9-13/h1-7,9H,10H2