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

Systemtic Name: N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-2-phenoxy-acetamide Formula: C21H16ClN5O2S MolecularWeight: 437.90204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C21H16ClN5O2S/c22-16-11-18-19(26-27(25-18)14-7-3-1-4-8-14)12-17(16)23-21(30)24-20(28)13-29-15-9-5-2-6-10-15/h1-12H,13H2,(H2,23,24,28,30)