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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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