(E)-N-[[5-[2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[5-[2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[5-[2-(4-bromo-3-chloro-anilino)-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[5-[[2-(4-bromo-3-chloroanilino)-2-oxoethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[5-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[5-[[2-(4-bromo-3-chloro-anilino)-2-keto-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C24H25BrClN5O4S MolecularWeight: 594.9084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)Cl)CNC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)Cl)CNC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H25BrClN5O4S/c1-4-31-21(13-27-22(32)10-6-15-5-9-19(34-2)20(11-15)35-3)29-30-24(31)36-14-23(33)28-16-7-8-17(25)18(26)12-16/h5-12H,4,13-14H2,1-3H3,(H,27,32)(H,28,33)/b10-6+