4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(6-pyrazol-1-ylpyridin-3-yl)butanamide

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-(6-pyrazol-1-ylpyridin-3-yl)butanamide Openeye Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(6-pyrazol-1-yl-3-pyridyl)butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-[6-(1-pyrazolyl)-3-pyridinyl]butanamide IUPAC Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(6-pyrazol-1-ylpyridin-3-yl)butanamide Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-(6-pyrazol-1-yl-3-pyridyl)butyramide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CN=C(C=C1)N2C=CC=N2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)NC1=CN=C(C=C1)N2C=CC=N2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O3S/c1-30-13-10-18(25-20(27)15-29-17-6-3-2-4-7-17)21(28)24-16-8-9-19(22-14-16)26-12-5-11-23-26/h2-9,11-12,14,18H,10,13,15H2,1H3,(H,24,28)(H,25,27)