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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylene)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-chlorophenyl)thio]methyl]-4-(dimethylaminomethylidene)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(dimethylaminomethylidene)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-chlorophenyl)thio]methyl]-4-(dimethylaminomethylene)-2-pyrazolin-3-one Formula: C20H17ClN4OS2 MolecularWeight: 428.95818

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C)C=C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4OS2/c1-24(2)11-15-17(12-27-14-9-7-13(21)8-10-14)23-25(19(15)26)20-22-16-5-3-4-6-18(16)28-20/h3-11H,12H2,1-2H3