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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[5-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-(3,4-dichloroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[5-[[2-(3,4-dichloroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[5-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-(3,4-dichloroanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)acetamide Formula: C22H20Cl3N5O2S MolecularWeight: 524.8505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C22H20Cl3N5O2S/c1-3-8-30-19(11-20(31)26-14-5-4-13(2)17(24)9-14)28-29-22(30)33-12-21(32)27-15-6-7-16(23)18(25)10-15/h3-7,9-10H,1,8,11-12H2,2H3,(H,26,31)(H,27,32)