2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]ethanamide

Systemtic Name: 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]ethanamide Openeye Name: 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]acetamide CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]acetamide IUPAC Name: 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]acetamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CC(=NC=C2)N3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CC(=NC=C2)N3C=CC=N3

InChI

InChI=1S/C20H21N5O2S/c1-15-3-5-17(6-4-15)24-20(27)14-28-13-19(26)22-12-16-7-9-21-18(11-16)25-10-2-8-23-25/h2-11H,12-14H2,1H3,(H,22,26)(H,24,27)