2-[4-(3-chloranyl-4-methyl-phenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(3-chloranyl-4-methyl-phenyl)-3-oxidanylidene-pyrazin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-(3-chloro-4-methyl-phenyl)-3-oxo-pyrazin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-(3-chloro-4-methylphenyl)-3-oxo-2-pyrazinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-(3-chloro-4-methyl-phenyl)-3-keto-pyrazin-2-yl]thio]-N-phenethyl-acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C(C2=O)SCC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C(C2=O)SCC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-15-7-8-17(13-18(15)22)25-12-11-24-20(21(25)27)28-14-19(26)23-10-9-16-5-3-2-4-6-16/h2-8,11-13H,9-10,14H2,1H3,(H,23,26)