[5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl-methyl-carbamic acid

Systemtic Name: [5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl-methyl-carbamic acid Openeye Name: [5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl-methyl-carbamic acid CAS Name: [5-[(3,5-dichlorophenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolyl]methyl-methylcarbamic acid IUPAC Name: [5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]methyl-methylcarbamic acid Traditional Name: [5-[(3,5-dichlorophenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrol-3-yl]methyl-methyl-carbamic acid Formula: C23H25Cl2N3O2S MolecularWeight: 478.4345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C(C)C)CN(C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)SC3=CC(=CC(=C3)Cl)Cl)C(C)C)CN(C)C(=O)O

InChI

InChI=1S/C23H25Cl2N3O2S/c1-14(2)21-20(13-27(4)23(29)30)15(3)28(12-16-5-7-26-8-6-16)22(21)31-19-10-17(24)9-18(25)11-19/h5-11,14H,12-13H2,1-4H3,(H,29,30)