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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(1-ethoxyethylidene)pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(1-ethoxyethylidene)pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-chlorophenyl)thio]methyl]-4-(1-ethoxyethylidene)-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-(1-ethoxyethylidene)pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[[(4-chlorophenyl)thio]methyl]-4-(1-ethoxyethylidene)-2-pyrazolin-3-one Formula: C21H18ClN3O2S2 MolecularWeight: 443.96952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O2S2/c1-3-27-13(2)19-17(12-28-15-10-8-14(22)9-11-15)24-25(20(19)26)21-23-16-6-4-5-7-18(16)29-21/h4-11H,3,12H2,1-2H3