N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C22H17ClN6O4S MolecularWeight: 496.92618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN6O4S/c1-2-33-20-9-8-13(10-19(20)29(31)32)21(30)25-22(34)24-16-12-18-17(11-15(16)23)26-28(27-18)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H2,24,25,30,34)