methyl 5-[[4-[(diphenylmethyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(diphenylmethyl)carbamothioylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(benzhydrylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(benzhydrylcarbamothioylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(benzhydrylthiocarbamoylamino)pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3S/c1-30-23(29)21-13-12-20(31-21)16-28-15-19(14-25-28)26-24(32)27-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3,(H2,26,27,32)