N-[[5-[2-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)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-(2,4-dichloroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[5-[[2-(2,4-dichloroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-allyl-5-[[2-(2,4-dichloroanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C23H23Cl2N5O4S MolecularWeight: 536.43082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)OC

InChI

InChI=1S/C23H23Cl2N5O4S/c1-4-9-30-20(12-26-22(32)14-5-8-18(33-2)19(10-14)34-3)28-29-23(30)35-13-21(31)27-17-7-6-15(24)11-16(17)25/h4-8,10-11H,1,9,12-13H2,2-3H3,(H,26,32)(H,27,31)