[5-(3-fluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate

Systemtic Name: [5-(3-fluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate Openeye Name: [5-(3-fluorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl carbamate CAS Name: carbamic acid [5-[(3-fluorophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methyl ester IUPAC Name: [5-(3-fluorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate Traditional Name: carbamic acid [5-[(3-fluorophenyl)thio]-4-isopropyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl ester Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C=C1COC(=O)N)CC2=CC=NC=C2)SC3=CC=CC(=C3)F

Isomeric SMILES

CC(C)C1=C(N(C=C1COC(=O)N)CC2=CC=NC=C2)SC3=CC=CC(=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-14(2)19-16(13-27-21(23)26)12-25(11-15-6-8-24-9-7-15)20(19)28-18-5-3-4-17(22)10-18/h3-10,12,14H,11,13H2,1-2H3,(H2,23,26)