N-[[4-(3,4-dichlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C19H18Cl2N4OS MolecularWeight: 421.34342

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCSC1=NN=C(N1C2=CC(=C(C=C2)Cl)Cl)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C19H18Cl2N4OS/c1-3-27-19-24-23-17(25(19)14-7-8-15(20)16(21)10-14)11-22-18(26)13-6-4-5-12(2)9-13/h4-10H,3,11H2,1-2H3,(H,22,26)