N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)methylsulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylthio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(5-keto-3-pyrazolin-3-yl)methylthio]acetamide Formula: C13H14ClN3O3S MolecularWeight: 327.78656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC(=O)NN2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSCC2=CC(=O)NN2)Cl

InChI

InChI=1S/C13H14ClN3O3S/c1-20-11-3-2-8(4-10(11)14)15-13(19)7-21-6-9-5-12(18)17-16-9/h2-5H,6-7H2,1H3,(H,15,19)(H2,16,17,18)