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

Systemtic Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[2-(4-ethylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-(4-ethylphenyl)benzotriazol-5-yl]thiocarbamoyl]-2-nitro-benzamide Formula: C22H18N6O3S MolecularWeight: 446.48172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N6O3S/c1-2-14-7-10-16(11-8-14)27-25-18-12-9-15(13-19(18)26-27)23-22(32)24-21(29)17-5-3-4-6-20(17)28(30)31/h3-13H,2H2,1H3,(H2,23,24,29,32)