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

Systemtic Name: (E)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: (E)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: (E)-N-[[[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: (E)-N-[[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: (E)-N-[[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C=CC4=CC=CO4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)/C=C/C4=CC=CO4)C

InChI

InChI=1S/C25H25N5O2S/c1-3-4-6-18-8-10-19(11-9-18)30-28-22-15-17(2)21(16-23(22)29-30)26-25(33)27-24(31)13-12-20-7-5-14-32-20/h5,7-16H,3-4,6H2,1-2H3,(H2,26,27,31,33)/b13-12+