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

Systemtic Name: (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[[2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[[2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[[2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]acrylamide Formula: C21H17N5O2S MolecularWeight: 403.45698

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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=CO4

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC=CO4

InChI

InChI=1S/C21H17N5O2S/c1-14-4-7-16(8-5-14)26-24-18-10-6-15(13-19(18)25-26)22-21(29)23-20(27)11-9-17-3-2-12-28-17/h2-13H,1H3,(H2,22,23,27,29)/b11-9+