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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,4-dihydropyrazol-5-one CAS Name: 3-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,4-dihydropyrazol-5-one Traditional Name: 5-[[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-pyrazolin-3-one Formula: C18H14ClN5OS MolecularWeight: 383.85466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5OS/c19-13-8-6-12(7-9-13)17-22-23-18(24(17)15-4-2-1-3-5-15)26-11-14-10-16(25)21-20-14/h1-9H,10-11H2,(H,21,25)