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

Systemtic Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-2-nitro-benzamide Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C23H20N6O3S/c1-3-15-8-10-16(11-9-15)28-26-19-12-14(2)18(13-20(19)27-28)24-23(33)25-22(30)17-6-4-5-7-21(17)29(31)32/h4-13H,3H2,1-2H3,(H2,24,25,30,33)