2-[5-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[5-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-allyl-5-[2-(3,4-dichloroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[5-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-allyl-5-[[2-(3,4-dichloroanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide Formula: C22H21Cl2N5O3S MolecularWeight: 506.40484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H21Cl2N5O3S/c1-3-10-29-19(12-20(30)25-14-4-7-16(32-2)8-5-14)27-28-22(29)33-13-21(31)26-15-6-9-17(23)18(24)11-15/h3-9,11H,1,10,12-13H2,2H3,(H,25,30)(H,26,31)