N-[3-[2-(4-ethoxyphenyl)sulfanylethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-[2-(4-ethoxyphenyl)sulfanylethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[2-[(4-ethoxyphenyl)thio]-1-oxoethyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[[2-(p-phenetylthio)acetyl]amino]phenyl]-2-pyrazol-1-yl-propionamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC=C2)NC(=O)C(C)N3C=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC=C2)NC(=O)C(C)N3C=CC=N3

InChI

InChI=1S/C22H24N4O3S/c1-3-29-19-8-10-20(11-9-19)30-15-21(27)24-17-6-4-7-18(14-17)25-22(28)16(2)26-13-5-12-23-26/h4-14,16H,3,15H2,1-2H3,(H,24,27)(H,25,28)