2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-methyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one

Systemtic Name: 2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-3-methyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one Openeye Name: 2-[5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one CAS Name: 2-[5-chloro-1-(1,1-dioxo-3-thiolanyl)-3-methyl-4-pyrazolyl]-2,3-dihydro-1H-quinazolin-4-one IUPAC Name: 2-[5-chloro-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one Traditional Name: 2-[5-chloro-1-(1,1-diketothiolan-3-yl)-3-methyl-pyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one Formula: C16H17ClN4O3S MolecularWeight: 380.84918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2NC3=CC=CC=C3C(=O)N2)Cl)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=NN(C(=C1C2NC3=CC=CC=C3C(=O)N2)Cl)C4CCS(=O)(=O)C4

InChI

InChI=1S/C16H17ClN4O3S/c1-9-13(14(17)21(20-9)10-6-7-25(23,24)8-10)15-18-12-5-3-2-4-11(12)16(22)19-15/h2-5,10,15,18H,6-8H2,1H3,(H,19,22)