3-chloranyl-4-ethoxy-N-[(3-propyl-2H-1,2,3,4-tetrazol-3-ium-5-yl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[(3-propyl-2H-1,2,3,4-tetrazol-3-ium-5-yl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[(3-propyl-2H-tetrazol-3-ium-5-yl)carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[(3-propyl-2H-tetrazol-3-ium-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[(3-propyl-2H-tetrazol-3-ium-5-yl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[(3-propyl-2H-tetrazol-3-ium-5-yl)thiocarbamoyl]benzamide Formula: C14H18ClN6O2S+ MolecularWeight: 369.84972

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=NC(=NN1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Cl

Isomeric SMILES

CCC[N+]1=NC(=NN1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Cl

InChI

InChI=1S/C14H17ClN6O2S/c1-3-7-21-19-13(18-20-21)17-14(24)16-12(22)9-5-6-11(23-4-2)10(15)8-9/h5-6,8H,3-4,7H2,1-2H3,(H2,16,17,19,22,24)/p+1