2-[[4-(4-chlorophenyl)-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-[[(4-methylphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-chlorophenyl)-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(4-chlorophenyl)-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-5-(p-toluidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5OS/c1-12-2-6-14(7-3-12)21-10-17-22-23-18(26-11-16(20)25)24(17)15-8-4-13(19)5-9-15/h2-9,21H,10-11H2,1H3,(H2,20,25)