4-methoxy-N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[(2-methyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[(2-methyltetrazol-5-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C11H11N7O4S MolecularWeight: 337.31454

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H11N7O4S/c1-17-15-10(14-16-17)13-11(23)12-9(19)6-3-4-8(22-2)7(5-6)18(20)21/h3-5H,1-2H3,(H2,12,13,15,19,23)