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

Systemtic Name: (E)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(6-methyl-2-p-phenetyl-benzotriazol-5-yl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C=CC4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N5O2S/c1-3-32-20-12-10-19(11-13-20)30-28-22-15-17(2)21(16-23(22)29-30)26-25(33)27-24(31)14-9-18-7-5-4-6-8-18/h4-16H,3H2,1-2H3,(H2,26,27,31,33)/b14-9+