methyl 5-[[4-(prop-2-enylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(prop-2-enylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(allylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(prop-2-enylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(allylthiocarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NCC=C

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NCC=C

InChI

InChI=1S/C14H16N4O3S/c1-3-6-15-14(22)17-10-7-16-18(8-10)9-11-4-5-12(21-11)13(19)20-2/h3-5,7-8H,1,6,9H2,2H3,(H2,15,17,22)