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

Systemtic Name: 4-chloranyl-N-[[3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide CAS Name: 4-chloro-N-[[3-[(4-methylphenyl)methylthio]-1H-1,2,4-triazol-5-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[[3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[3-[(4-methylbenzyl)thio]-1H-1,2,4-triazol-5-yl]methyl]benzamide Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=N2)CNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4OS/c1-12-2-4-13(5-3-12)11-25-18-21-16(22-23-18)10-20-17(24)14-6-8-15(19)9-7-14/h2-9H,10-11H2,1H3,(H,20,24)(H,21,22,23)