1-[4-methoxy-3-(quinazolin-4-ylsulfanylmethyl)phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-(quinazolin-4-ylsulfanylmethyl)phenyl]ethanone Openeye Name: 1-[4-methoxy-3-(quinazolin-4-ylsulfanylmethyl)phenyl]ethanone CAS Name: 1-[4-methoxy-3-[(4-quinazolinylthio)methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-(quinazolin-4-ylsulfanylmethyl)phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(quinazolin-4-ylthio)methyl]phenyl]ethanone Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2S/c1-12(21)13-7-8-17(22-2)14(9-13)10-23-18-15-5-3-4-6-16(15)19-11-20-18/h3-9,11H,10H2,1-2H3