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

Systemtic Name: 2-[[5-[[(3,4-dichlorophenyl)amino]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-[(3,4-dichloroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-[(3,4-dichloroanilino)methyl]-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C21H21Cl2N5OS MolecularWeight: 462.39534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N5OS/c1-3-10-28-19(12-24-15-8-9-16(22)17(23)11-15)26-27-21(28)30-13-20(29)25-18-7-5-4-6-14(18)2/h3-9,11,24H,1,10,12-13H2,2H3,(H,25,29)