5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-[(4-chlorophenyl)methylthio]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-[(4-chlorobenzyl)thio]-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C12H10ClN5OS MolecularWeight: 307.7587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NNC3=NC(=O)C=C(N32)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NNC3=NC(=O)C=C(N32)N)Cl

InChI

InChI=1S/C12H10ClN5OS/c13-8-3-1-7(2-4-8)6-20-12-17-16-11-15-10(19)5-9(14)18(11)12/h1-5H,6,14H2,(H,15,16,19)