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

Systemtic Name: N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Openeye Name: 3-(3-methylpyrazol-1-yl)-N-[[5-methylsulfanyl-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]propanamide CAS Name: N-[[4-(2-methylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Traditional Name: 3-(3-methylpyrazol-1-yl)-N-[[5-(methylthio)-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]propionamide Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)NCC2=NN=C(N2C3=CC=CC=C3C)SC

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)NCC2=NN=C(N2C3=CC=CC=C3C)SC

InChI

InChI=1S/C18H22N6OS/c1-13-6-4-5-7-15(13)24-16(20-21-18(24)26-3)12-19-17(25)9-11-23-10-8-14(2)22-23/h4-8,10H,9,11-12H2,1-3H3,(H,19,25)