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

Systemtic Name: [5-(3-methylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate Openeye Name: [4-isopropyl-5-(m-tolylsulfanyl)-1-(4-pyridylmethyl)pyrrol-3-yl]methyl carbamate CAS Name: carbamic acid [5-[(3-methylphenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methyl ester IUPAC Name: [5-(3-methylphenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl carbamate Traditional Name: carbamic acid [4-isopropyl-5-(m-tolylthio)-1-(4-pyridylmethyl)pyrrol-3-yl]methyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=C(C(=CN2CC3=CC=NC=C3)COC(=O)N)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)SC2=C(C(=CN2CC3=CC=NC=C3)COC(=O)N)C(C)C

InChI

InChI=1S/C22H25N3O2S/c1-15(2)20-18(14-27-22(23)26)13-25(12-17-7-9-24-10-8-17)21(20)28-19-6-4-5-16(3)11-19/h4-11,13,15H,12,14H2,1-3H3,(H2,23,26)