1-[2-(hydroxymethyl)-2,3-dihydro-1H-benzo[f]chromen-1-yl]-1-methyl-3-(4-nitrophenyl)sulfanyl-urea

Systemtic Name: 1-[2-(hydroxymethyl)-2,3-dihydro-1H-benzo[f]chromen-1-yl]-1-methyl-3-(4-nitrophenyl)sulfanyl-urea Openeye Name: 1-[2-(hydroxymethyl)-2,3-dihydro-1H-benzo[f]chromen-1-yl]-1-methyl-3-(4-nitrophenyl)sulfanyl-urea CAS Name: 1-[2-(hydroxymethyl)-2,3-dihydro-1H-benzo[f][1]benzopyran-1-yl]-1-methyl-3-[(4-nitrophenyl)thio]urea IUPAC Name: 1-[2-(hydroxymethyl)-2,3-dihydro-1H-benzo[f]chromen-1-yl]-1-methyl-3-(4-nitrophenyl)sulfanylurea Traditional Name: 1-methyl-1-(2-methylol-2,3-dihydro-1H-benzo[f]chromen-1-yl)-3-[(4-nitrophenyl)thio]urea Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(COC2=C1C3=CC=CC=C3C=C2)CO)C(=O)NSC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(C1C(COC2=C1C3=CC=CC=C3C=C2)CO)C(=O)NSC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S/c1-24(22(27)23-31-17-9-7-16(8-10-17)25(28)29)21-15(12-26)13-30-19-11-6-14-4-2-3-5-18(14)20(19)21/h2-11,15,21,26H,12-13H2,1H3,(H,23,27)