N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(1H-perimidin-2-ylsulfanyl)ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(1H-perimidin-2-ylsulfanyl)acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-perimidin-2-ylthio)acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1H-perimidin-2-ylsulfanyl)acetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(1H-perimidin-2-ylthio)acetamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C21H18ClN3O2S/c1-12-9-17(18(27-2)10-14(12)22)23-19(26)11-28-21-24-15-7-3-5-13-6-4-8-16(25-21)20(13)15/h3-10H,11H2,1-2H3,(H,23,26)(H,24,25)