2-[4-(4-chlorophenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(4-chlorophenyl)-3-oxo-pyrazin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[4-(4-chlorophenyl)-3-oxo-2-pyrazinyl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(4-chlorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[4-(4-chlorophenyl)-3-keto-pyrazin-2-yl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC=CN(C2=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C20H18ClN3O4S/c1-27-16-8-5-14(11-17(16)28-2)23-18(25)12-29-19-20(26)24(10-9-22-19)15-6-3-13(21)4-7-15/h3-11H,12H2,1-2H3,(H,23,25)