2-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]thio]quinazolin-4-olate Formula: C17H13N4O4S- MolecularWeight: 369.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c1-10-6-7-11(8-14(10)21(24)25)18-15(22)9-26-17-19-13-5-3-2-4-12(13)16(23)20-17/h2-8H,9H2,1H3,(H,18,22)(H,19,20,23)/p-1