1-(1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(quinazolin-4-ylthio)ethanone Formula: C17H12N2O3S MolecularWeight: 324.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C17H12N2O3S/c20-14(11-5-6-15-16(7-11)22-10-21-15)8-23-17-12-3-1-2-4-13(12)18-9-19-17/h1-7,9H,8,10H2