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

Systemtic Name: 3-chloranyl-N-[[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-chloro-N-[[5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-chloro-N-[[4-(4-methylphenyl)-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-chloro-N-[[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 3-chloro-N-[[5-[(3-methylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C25H23ClN4OS MolecularWeight: 462.99432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)CNC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C)CNC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H23ClN4OS/c1-17-9-11-22(12-10-17)30-23(15-27-24(31)20-7-4-8-21(26)14-20)28-29-25(30)32-16-19-6-3-5-18(2)13-19/h3-14H,15-16H2,1-2H3,(H,27,31)