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

Systemtic Name: 3-[5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[(1,3-diphenyl-4-pyrazolyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(1,3-diphenylpyrazol-4-yl)methylthio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CCC(=O)N

InChI

InChI=1S/C22H22N6OS/c1-27-20(13-12-19(23)29)24-25-22(27)30-15-17-14-28(18-10-6-3-7-11-18)26-21(17)16-8-4-2-5-9-16/h2-11,14H,12-13,15H2,1H3,(H2,23,29)