4-chloranyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-chloro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]benzamide CAS Name: 4-chloro-N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-chloro-N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C21H16ClN5OS MolecularWeight: 421.90264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5OS/c1-13-11-18-19(26-27(25-18)16-5-3-2-4-6-16)12-17(13)23-21(29)24-20(28)14-7-9-15(22)10-8-14/h2-12H,1H3,(H2,23,24,28,29)