1-(phenylmethylsulfanyl)-3H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(phenylmethylsulfanyl)-3H-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-benzylsulfanyl-3H-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-(phenylmethylthio)-3H-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-benzylsulfanyl-3H-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-(benzylthio)-3H-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC3=NC(=O)C4=CC=CC=C4N32

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC3=NC(=O)C4=CC=CC=C4N32

InChI

InChI=1S/C16H12N4OS/c21-14-12-8-4-5-9-13(12)20-15(17-14)18-19-16(20)22-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18,21)