methyl 5-[[4-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(indan-2-ylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[(2,3-dihydro-1H-inden-2-ylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3-dihydro-1H-inden-2-ylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(indan-2-ylthiocarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC3CC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC3CC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N4O3S/c1-26-19(25)18-7-6-17(27-18)12-24-11-16(10-21-24)23-20(28)22-15-8-13-4-2-3-5-14(13)9-15/h2-7,10-11,15H,8-9,12H2,1H3,(H2,22,23,28)