N-[(2-chlorophenyl)methyl]-2-[4-(3,5-dimethylphenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[4-(3,5-dimethylphenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[4-(3,5-dimethylphenyl)-3-oxo-pyrazin-2-yl]sulfanyl-acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[[4-(3,5-dimethylphenyl)-3-oxo-2-pyrazinyl]thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide Traditional Name: N-(2-chlorobenzyl)-2-[[4-(3,5-dimethylphenyl)-3-keto-pyrazin-2-yl]thio]acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C(C2=O)SCC(=O)NCC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C(C2=O)SCC(=O)NCC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H20ClN3O2S/c1-14-9-15(2)11-17(10-14)25-8-7-23-20(21(25)27)28-13-19(26)24-12-16-5-3-4-6-18(16)22/h3-11H,12-13H2,1-2H3,(H,24,26)