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

Systemtic Name: 2-[5-[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-allyl-5-[2-(3,5-dichloroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide CAS Name: 2-[5-[[2-(3,5-dichloroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[5-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-allyl-5-[[2-(3,5-dichloroanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide Formula: C22H21Cl2N5O2S MolecularWeight: 490.40544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C22H21Cl2N5O2S/c1-3-8-29-19(12-20(30)26-18-7-5-4-6-14(18)2)27-28-22(29)32-13-21(31)25-17-10-15(23)9-16(24)11-17/h3-7,9-11H,1,8,12-13H2,2H3,(H,25,31)(H,26,30)