2-[(5-nitropyridin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(5-nitropyridin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-nitro-2-pyridyl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(5-nitro-2-pyridinyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-nitropyridin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-nitro-2-pyridyl)thio]methyl]-1H-quinazolin-4-one Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CSC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O3S/c19-14-10-3-1-2-4-11(10)16-12(17-14)8-22-13-6-5-9(7-15-13)18(20)21/h1-7H,8H2,(H,16,17,19)