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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C14H17N7O4S MolecularWeight: 379.39428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O4S/c1-3-4-7-20-18-13(17-19-20)16-14(26)15-12(22)9-5-6-11(25-2)10(8-9)21(23)24/h5-6,8H,3-4,7H2,1-2H3,(H2,15,16,18,22,26)