5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-chloranyl-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-chloranyl-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-chloro-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-chloro-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-chloro-1-methyl-2-phenylpyrazol-3-one Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-4-chloro-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C18H14ClN3OS2 MolecularWeight: 387.90626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Cl)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Cl)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14ClN3OS2/c1-21-14(11-24-18-20-13-9-5-6-10-15(13)25-18)16(19)17(23)22(21)12-7-3-2-4-8-12/h2-10H,11H2,1H3