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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c21-15(18-10-12-6-2-1-3-7-12)11-23-17-19-14-9-5-4-8-13(14)16(22)20-17/h1-9H,10-11H2,(H,18,21)(H,19,20,22)/p-1