N-[(4-chlorophenyl)methyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetamide Formula: C16H16ClN5OS MolecularWeight: 361.84914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCC(=O)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SCC(=O)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C16H16ClN5OS/c1-10-7-11(2)22-15(19-10)20-21-16(22)24-9-14(23)18-8-12-3-5-13(17)6-4-12/h3-7H,8-9H2,1-2H3,(H,18,23)