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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)NN4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)NN4

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/h1-11H,12H2,(H2,19,20,24)