3-nitro-4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]benzenecarbonitrile Openeye Name: 4-(1-benzyltetrazol-5-yl)sulfanyl-3-nitro-benzonitrile CAS Name: 3-nitro-4-[[1-(phenylmethyl)-5-tetrazolyl]thio]benzonitrile IUPAC Name: 4-(1-benzyltetrazol-5-yl)sulfanyl-3-nitrobenzonitrile Traditional Name: 4-[(1-benzyltetrazol-5-yl)thio]-3-nitro-benzonitrile Formula: C15H10N6O2S MolecularWeight: 338.3439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H10N6O2S/c16-9-12-6-7-14(13(8-12)21(22)23)24-15-17-18-19-20(15)10-11-4-2-1-3-5-11/h1-8H,10H2