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

Systemtic Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Openeye Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide CAS Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[[4-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Traditional Name: N-[[4-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazol-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propionamide Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)NCC2=NN=C(N2C3=CC(=CC=C3)OC)SCCC4=CC=CC=C4

InChI

InChI=1S/C25H28N6O2S/c1-19-11-14-30(29-19)15-12-24(32)26-18-23-27-28-25(34-16-13-20-7-4-3-5-8-20)31(23)21-9-6-10-22(17-21)33-2/h3-11,14,17H,12-13,15-16,18H2,1-2H3,(H,26,32)