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

Systemtic Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C21H15ClN6O3S MolecularWeight: 466.9002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN6O3S/c1-12-10-18-19(26-27(25-18)15-8-4-14(22)5-9-15)11-17(12)23-21(32)24-20(29)13-2-6-16(7-3-13)28(30)31/h2-11H,1H3,(H2,23,24,29,32)