(9S)-2-methylsulfanyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: (9S)-2-methylsulfanyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: (9S)-2-methylsulfanyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: (9S)-2-(methylthio)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: (9S)-2-methylsulfanyl-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: (9S)-2-(methylthio)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=NC3=C(C(N2N1)C4=CC=CC=C4[N+](=O)[O-])C(=O)CCC3

Isomeric SMILES

CSC1=NC2=NC3=C([C@@H](N2N1)C4=CC=CC=C4[N+](=O)[O-])C(=O)CCC3

InChI

InChI=1S/C16H15N5O3S/c1-25-16-18-15-17-10-6-4-8-12(22)13(10)14(20(15)19-16)9-5-2-3-7-11(9)21(23)24/h2-3,5,7,14H,4,6,8H2,1H3,(H,17,18,19)/t14-/m0/s1