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

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]-N-ethyl-methanesulfonamide Openeye Name: N-[4-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]-N-ethyl-methanesulfonamide CAS Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]-N-ethylmethanesulfonamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]-N-ethylmethanesulfonamide Traditional Name: N-[4-[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]-N-ethyl-methanesulfonamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)S(=O)(=O)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4)S(=O)(=O)C

InChI

InChI=1S/C21H23N5O3S2/c1-3-25(31(2,28)29)17-6-4-15(5-7-17)19(27)14-30-21-24-23-20(26(21)18-8-9-18)16-10-12-22-13-11-16/h4-7,10-13,18H,3,8-9,14H2,1-2H3