2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one

Systemtic Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one Openeye Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one CAS Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one IUPAC Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitrophenyl]-2,3-dihydro-1H-quinazolin-4-one Traditional Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-nitro-phenyl]-2,3-dihydro-1H-quinazolin-4-one Formula: C17H14N6O3S MolecularWeight: 382.39646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC(=C(C=C2)C3NC4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=CC(=C(C=C2)C3NC4=CC=CC=C4C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O3S/c1-22-9-18-21-17(22)27-10-6-7-12(14(8-10)23(25)26)15-19-13-5-3-2-4-11(13)16(24)20-15/h2-9,15,19H,1H3,(H,20,24)