N-[[5-[2-[(4-iodanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[5-[2-[(4-iodanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-allyl-5-[2-(4-iodo-2,6-dimethyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[5-[[2-(4-iodo-2,6-dimethylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-[2-(4-iodo-2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-allyl-5-[[2-(4-iodo-2,6-dimethyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C25H28IN5O4S MolecularWeight: 621.49039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=C(C=C3)OC)OC)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC(=C(C=C3)OC)OC)C)I

InChI

InChI=1S/C25H28IN5O4S/c1-6-9-31-21(13-27-24(33)17-7-8-19(34-4)20(12-17)35-5)29-30-25(31)36-14-22(32)28-23-15(2)10-18(26)11-16(23)3/h6-8,10-12H,1,9,13-14H2,2-5H3,(H,27,33)(H,28,32)