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

Systemtic Name: 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-nitro-benzonitrile CAS Name: 4-[(1-cyclopropyl-5-tetrazolyl)thio]-3-nitrobenzonitrile IUPAC Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-nitrobenzonitrile Traditional Name: 4-[(1-cyclopropyltetrazol-5-yl)thio]-3-nitro-benzonitrile Formula: C11H8N6O2S MolecularWeight: 288.28522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C11H8N6O2S/c12-6-7-1-4-10(9(5-7)17(18)19)20-11-13-14-15-16(11)8-2-3-8/h1,4-5,8H,2-3H2