N-[[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]ethanamide

Systemtic Name: N-[[4-[2,5-bis(chloranyl)phenyl]-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]ethanamide Openeye Name: N-[[4-(2,5-dichlorophenyl)-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]acetamide CAS Name: N-[[4-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]acetamide IUPAC Name: N-[[4-(2,5-dichlorophenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]acetamide Traditional Name: N-[[4-(2,5-dichlorophenyl)-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]acetamide Formula: C19H18Cl2N4OS MolecularWeight: 421.34342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)CNC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=C(C=CC(=C3)Cl)Cl)CNC(=O)C

InChI

InChI=1S/C19H18Cl2N4OS/c1-12-4-3-5-14(8-12)11-27-19-24-23-18(10-22-13(2)26)25(19)17-9-15(20)6-7-16(17)21/h3-9H,10-11H2,1-2H3,(H,22,26)