(E)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[(6-chloranyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[(6-chloro-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H16ClN5OS MolecularWeight: 433.91334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN5OS/c23-17-13-19-20(27-28(26-19)16-9-5-2-6-10-16)14-18(17)24-22(30)25-21(29)12-11-15-7-3-1-4-8-15/h1-14H,(H2,24,25,29,30)/b12-11+