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

Systemtic Name: 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-3-nitro-benzamide Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C(=NN=N2)SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3S/c13-11(19)7-1-2-8(10(5-7)18(20)21)6-22-12-14-15-16-17(12)9-3-4-9/h1-2,5,9H,3-4,6H2,(H2,13,19)