6,6-dimethyl-2-phenacylsulfanyl-5,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

Systemtic Name: 6,6-dimethyl-2-phenacylsulfanyl-5,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Openeye Name: 6,6-dimethyl-2-phenacylsulfanyl-5,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one CAS Name: 6,6-dimethyl-2-(phenacylthio)-5,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one IUPAC Name: 6,6-dimethyl-2-phenacylsulfanyl-5,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Traditional Name: 6,6-dimethyl-2-(phenacylthio)-5,7-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one Formula: C19H18N4O2S MolecularWeight: 366.43682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC3=NC(=NN3C=C2C(=O)C1)SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2=NC3=NC(=NN3C=C2C(=O)C1)SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C19H18N4O2S/c1-19(2)8-14-13(15(24)9-19)10-23-17(20-14)21-18(22-23)26-11-16(25)12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3