4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H14N4OS/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)23-17-18-13-9-5-6-10-14(13)19-17/h2-10,20H,1H3,(H,18,19)