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

Systemtic Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C20H13ClN6O3S MolecularWeight: 452.87362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN6O3S/c21-13-3-8-15(9-4-13)26-24-17-10-5-14(11-18(17)25-26)22-20(31)23-19(28)12-1-6-16(7-2-12)27(29)30/h1-11H,(H2,22,23,28,31)