(E)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-phenyl-2-furyl)-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-(5-phenyl-2-furanyl)-2-propenamide IUPAC Name: (E)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-phenyl-2-furyl)-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]acrylamide Formula: C27H21N5O2S MolecularWeight: 479.55294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C=CC4=CC=C(O4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N5O2S/c1-18-7-10-21(11-8-18)32-30-23-14-9-20(17-24(23)31-32)28-27(35)29-26(33)16-13-22-12-15-25(34-22)19-5-3-2-4-6-19/h2-17H,1H3,(H2,28,29,33,35)/b16-13+