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

Systemtic Name: 4-azanyl-1-(phenylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-amino-1-benzylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 4-amino-1-(phenylmethylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 4-amino-1-benzylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-amino-1-(benzylthio)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3N

InChI

InChI=1S/C16H13N5OS/c17-21-14(22)12-8-4-5-9-13(12)20-15(21)18-19-16(20)23-10-11-6-2-1-3-7-11/h1-9H,10,17H2