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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=CN(C2=O)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC=CN(C2=O)C3=CC(=C(C=C3)C)Cl

InChI

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