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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=O)NN3)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/h1-10H,11H2,(H2,20,21,25)