(E)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C23H18FN5OS MolecularWeight: 431.485323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C=CC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H18FN5OS/c1-15-13-20-21(28-29(27-20)18-10-8-17(24)9-11-18)14-19(15)25-23(31)26-22(30)12-7-16-5-3-2-4-6-16/h2-14H,1H3,(H2,25,26,30,31)/b12-7+