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

Systemtic Name: 2-[[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[4-methyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-N-phenyl-acetamide CAS Name: 2-[[4-methyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methylthio]-N-phenylacetamide IUPAC Name: 2-[[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-N-phenylacetamide Traditional Name: 2-[[4-methyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]methylthio]-N-phenyl-acetamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C)CSCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C)CSCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS2/c1-15-8-10-16(11-9-15)12-27-20-23-22-18(24(20)2)13-26-14-19(25)21-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,21,25)