2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazoline-4-thiolate

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazoline-4-thiolate Openeye Name: 2-[2-(3,4-dimethylanilino)-2-oxo-ethyl]sulfanylquinazoline-4-thiolate CAS Name: 2-[[2-(3,4-dimethylanilino)-2-oxoethyl]thio]-4-quinazolinethiolate IUPAC Name: 2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylquinazoline-4-thiolate Traditional Name: 2-[[2-(3,4-dimethylanilino)-2-keto-ethyl]thio]quinazoline-4-thiolate Formula: C18H16N3OS2- MolecularWeight: 354.46914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3OS2/c1-11-7-8-13(9-12(11)2)19-16(22)10-24-18-20-15-6-4-3-5-14(15)17(23)21-18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21,23)/p-1