6,6-dimethyl-2-methylsulfanyl-9-(5-nitrofuran-2-yl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: 6,6-dimethyl-2-methylsulfanyl-9-(5-nitrofuran-2-yl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 6,6-dimethyl-2-methylsulfanyl-9-(5-nitro-2-furyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 6,6-dimethyl-2-(methylthio)-9-(5-nitro-2-furanyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 6,6-dimethyl-2-methylsulfanyl-9-(5-nitrofuran-2-yl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 6,6-dimethyl-2-(methylthio)-9-(5-nitro-2-furyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N3C(=N2)N=C(N3)SC)C4=CC=C(O4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(N3C(=N2)N=C(N3)SC)C4=CC=C(O4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C16H17N5O4S/c1-16(2)6-8-12(9(22)7-16)13(10-4-5-11(25-10)21(23)24)20-14(17-8)18-15(19-20)26-3/h4-5,13H,6-7H2,1-3H3,(H,17,18,19)