N-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]methyl]-1-pyridin-4-yl-methanamine

Systemtic Name: N-[[5-[3,5-bis(chloranyl)phenyl]sulfanyl-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]methyl]-1-pyridin-4-yl-methanamine Openeye Name: N-[[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-2-methyl-1H-pyrrol-3-yl]methyl]-1-(4-pyridyl)methanamine CAS Name: N-[[5-[(3,5-dichlorophenyl)thio]-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]methyl]-1-pyridin-4-ylmethanamine IUPAC Name: N-[[5-(3,5-dichlorophenyl)sulfanyl-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]methyl]-1-pyridin-4-ylmethanamine Traditional Name: [5-[(3,5-dichlorophenyl)thio]-4-isopropyl-2-methyl-1H-pyrrol-3-yl]methyl-(4-pyridylmethyl)amine Formula: C21H23Cl2N3S MolecularWeight: 420.39842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)SC2=CC(=CC(=C2)Cl)Cl)C(C)C)CNCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=C(N1)SC2=CC(=CC(=C2)Cl)Cl)C(C)C)CNCC3=CC=NC=C3

InChI

InChI=1S/C21H23Cl2N3S/c1-13(2)20-19(12-25-11-15-4-6-24-7-5-15)14(3)26-21(20)27-18-9-16(22)8-17(23)10-18/h4-10,13,25-26H,11-12H2,1-3H3