2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]quinazolin-4-olate Formula: C17H14N3O2S- MolecularWeight: 324.37696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c1-11-6-8-12(9-7-11)18-15(21)10-23-17-19-14-5-3-2-4-13(14)16(22)20-17/h2-9H,10H2,1H3,(H,18,21)(H,19,20,22)/p-1