7-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C19H23N5O3S3 MolecularWeight: 465.61262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=O)C=C(N=C2S1)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCC1=NN2C(=O)C=C(N=C2S1)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C19H23N5O3S3/c1-2-16-22-24-18(25)11-14(21-19(24)29-16)13-28-17-8-7-15(12-20-17)30(26,27)23-9-5-3-4-6-10-23/h7-8,11-12H,2-6,9-10,13H2,1H3