1-(3,4-dimethylphenyl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(3,4-dimethylphenyl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(3,4-dimethylphenyl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(3,4-dimethylphenyl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(3,4-dimethylphenyl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(3,4-dimethylphenyl)-2-(quinazolin-4-ylthio)ethanone Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC=NC3=CC=CC=C32)C

InChI

InChI=1S/C18H16N2OS/c1-12-7-8-14(9-13(12)2)17(21)10-22-18-15-5-3-4-6-16(15)19-11-20-18/h3-9,11H,10H2,1-2H3