3-[(4-chlorophenyl)methylsulfanyl]-5-[(6-oxidanylidene-1H-pyridin-3-yl)amino]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(6-oxidanylidene-1H-pyridin-3-yl)amino]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(6-oxo-1H-pyridin-3-yl)amino]isothiazole-4-carboxamide CAS Name: 3-[(4-chlorophenyl)methylthio]-5-[(6-oxo-1H-pyridin-3-yl)amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-[(6-oxo-1H-pyridin-3-yl)amino]-1,2-thiazole-4-carboxamide Traditional Name: 3-[(4-chlorobenzyl)thio]-5-[(6-keto-1H-pyridin-3-yl)amino]isothiazole-4-carboxamide Formula: C16H13ClN4O2S2 MolecularWeight: 392.88302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NSC(=C2C(=O)N)NC3=CNC(=O)C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NSC(=C2C(=O)N)NC3=CNC(=O)C=C3)Cl

InChI

InChI=1S/C16H13ClN4O2S2/c17-10-3-1-9(2-4-10)8-24-16-13(14(18)23)15(25-21-16)20-11-5-6-12(22)19-7-11/h1-7,20H,8H2,(H2,18,23)(H,19,22)