2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylquinazolin-4-olate Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylquinazolin-4-olate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylquinazolin-4-olate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]quinazolin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C16H19N3O2S/c20-14(17-11-6-2-1-3-7-11)10-22-16-18-13-9-5-4-8-12(13)15(21)19-16/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,20)(H,18,19,21)/p-1