2-(1H-benzimidazol-2-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-3-pyrazolin-3-one Formula: C18H13N5OS2 MolecularWeight: 379.45872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)N3C(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)N3C(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C18H13N5OS2/c24-16-9-11(10-25-18-21-14-7-3-4-8-15(14)26-18)22-23(16)17-19-12-5-1-2-6-13(12)20-17/h1-9,22H,10H2,(H,19,20)