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

Systemtic Name: N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[4-(3,4-dichlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[4-(3,4-dichlorophenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C18H16Cl2N4OS MolecularWeight: 407.31684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC(=C(C=C3)Cl)Cl)SC

InChI

InChI=1S/C18H16Cl2N4OS/c1-11-4-3-5-12(8-11)17(25)21-10-16-22-23-18(26-2)24(16)13-6-7-14(19)15(20)9-13/h3-9H,10H2,1-2H3,(H,21,25)