N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C23H20N6O4S MolecularWeight: 476.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H20N6O4S/c1-3-33-18-8-6-17(7-9-18)28-26-19-10-5-16(13-20(19)27-28)24-23(34)25-22(30)15-4-11-21(29(31)32)14(2)12-15/h4-13H,3H2,1-2H3,(H2,24,25,30,34)