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

Systemtic Name: N-[(2-butyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(2-butyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(2-butyltetrazol-5-yl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C15H19N7O4S MolecularWeight: 393.42086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7O4S/c1-3-5-8-21-19-14(18-20-21)17-15(27)16-13(23)10-6-7-12(26-4-2)11(9-10)22(24)25/h6-7,9H,3-5,8H2,1-2H3,(H2,16,17,19,23,27)