2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-chlorophenyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-chlorophenyl)thio]methyl]-3-pyrazolin-3-one Formula: C17H12ClN3OS2 MolecularWeight: 373.87968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12ClN3OS2/c18-11-5-7-13(8-6-11)23-10-12-9-16(22)21(20-12)17-19-14-3-1-2-4-15(14)24-17/h1-9,20H,10H2