N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]phenyl]methanesulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C20H21N5O3S2/c1-13(18(26)14-3-5-16(6-4-14)24-30(2,27)28)29-20-23-22-19(25(20)17-7-8-17)15-9-11-21-12-10-15/h3-6,9-13,17,24H,7-8H2,1-2H3