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

Systemtic Name: 4-ethoxy-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C24H22N6O4S MolecularWeight: 490.53428

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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=C2C)C4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O4S/c1-4-34-22-10-7-16(12-21(22)30(32)33)23(31)26-24(35)25-18-13-20-19(11-15(18)3)27-29(28-20)17-8-5-14(2)6-9-17/h5-13H,4H2,1-3H3,(H2,25,26,31,35)