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

Systemtic Name: 6,6-dimethyl-2-methylsulfanyl-9-(4-nitrophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 6,6-dimethyl-2-methylsulfanyl-9-(4-nitrophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 6,6-dimethyl-2-(methylthio)-9-(4-nitrophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 6,6-dimethyl-2-methylsulfanyl-9-(4-nitrophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 6,6-dimethyl-2-(methylthio)-9-(4-nitrophenyl)-1,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3S/c1-18(2)8-12-14(13(24)9-18)15(10-4-6-11(7-5-10)23(25)26)22-16(19-12)20-17(21-22)27-3/h4-7,15H,8-9H2,1-3H3,(H,19,20,21)