N-but-2-ynyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide

Systemtic Name: N-but-2-ynyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide Openeye Name: N-but-2-ynyl-N-(2-furylmethyl)-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide CAS Name: N-but-2-ynyl-N-(2-furanylmethyl)-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]acetamide IUPAC Name: N-but-2-ynyl-N-(furan-2-ylmethyl)-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide Traditional Name: N-but-2-ynyl-N-(2-furfuryl)-2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(CC1=CC=CO1)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC#CCN(CC1=CC=CO1)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-2-3-11-25(15-19-8-7-12-29-19)22(28)16-26-14-18(13-23-26)24-21(27)17-30-20-9-5-4-6-10-20/h4-10,12-14H,11,15-17H2,1H3,(H,24,27)