3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,4-dihydropyrazol-5-one

Systemtic Name: 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,4-dihydropyrazol-5-one CAS Name: 3-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,4-dihydropyrazol-5-one Traditional Name: 5-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]-2-pyrazolin-3-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(=NNC1=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H15N5OS/c24-16-11-14(19-20-16)12-25-18-22-21-17(13-7-3-1-4-8-13)23(18)15-9-5-2-6-10-15/h1-10H,11-12H2,(H,20,24)