1-[2,4,6-trimethyl-3-(quinazolin-4-ylsulfanylmethyl)phenyl]ethanone

Systemtic Name: 1-[2,4,6-trimethyl-3-(quinazolin-4-ylsulfanylmethyl)phenyl]ethanone Openeye Name: 1-[2,4,6-trimethyl-3-(quinazolin-4-ylsulfanylmethyl)phenyl]ethanone CAS Name: 1-[2,4,6-trimethyl-3-[(4-quinazolinylthio)methyl]phenyl]ethanone IUPAC Name: 1-[2,4,6-trimethyl-3-(quinazolin-4-ylsulfanylmethyl)phenyl]ethanone Traditional Name: 1-[2,4,6-trimethyl-3-[(quinazolin-4-ylthio)methyl]phenyl]ethanone Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NC=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H20N2OS/c1-12-9-13(2)19(15(4)23)14(3)17(12)10-24-20-16-7-5-6-8-18(16)21-11-22-20/h5-9,11H,10H2,1-4H3