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

Systemtic Name: N-[(2-ethyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(2-ethyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(2-ethyltetrazol-5-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C12H13N7O4S MolecularWeight: 351.34112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13N7O4S/c1-3-18-16-11(15-17-18)14-12(24)13-10(20)7-4-5-9(23-2)8(6-7)19(21)22/h4-6H,3H2,1-2H3,(H2,13,14,16,20,24)