3-(2-methylphenyl)-2-(sulfanylmethyl)quinazolin-4-one hydrochloride

Systemtic Name: 3-(2-methylphenyl)-2-(sulfanylmethyl)quinazolin-4-one hydrochloride Openeye Name: 3-(o-tolyl)-2-(sulfanylmethyl)quinazolin-4-one hydrochloride CAS Name: 2-(mercaptomethyl)-3-(2-methylphenyl)-4-quinazolinone hydrochloride IUPAC Name: 3-(2-methylphenyl)-2-(sulfanylmethyl)quinazolin-4-one hydrochloride Traditional Name: 2-(mercaptomethyl)-3-(o-tolyl)quinazolin-4-one hydrochloride Formula: C16H15ClN2OS MolecularWeight: 318.8211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CS.Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CS.Cl

InChI

InChI=1S/C16H14N2OS.ClH/c1-11-6-2-5-9-14(11)18-15(10-20)17-13-8-4-3-7-12(13)16(18)19;/h2-9,20H,10H2,1H3;1H