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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[(1,3-benzothiazol-2-ylthio)methyl]-3-pyrazolin-3-one Formula: C18H12N4OS3 MolecularWeight: 396.50908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C18H12N4OS3/c23-16-9-11(10-24-18-20-13-6-2-4-8-15(13)26-18)21-22(16)17-19-12-5-1-3-7-14(12)25-17/h1-9,21H,10H2