N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-phenyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN5OS/c22-16-12-18-19(26-27(25-18)15-9-5-2-6-10-15)13-17(16)23-21(29)24-20(28)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2,(H2,23,24,28,29)