5-(3-chloranyl-5-prop-2-enyl-phenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: 5-(3-chloranyl-5-prop-2-enyl-phenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Openeye Name: 5-(3-allyl-5-chloro-phenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide CAS Name: 5-[(3-chloro-5-prop-2-enylphenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxamide IUPAC Name: 5-(3-chloro-5-prop-2-enylphenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Traditional Name: 5-[(3-allyl-5-chloro-phenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide Formula: C24H26ClN3OS MolecularWeight: 440.00074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClN3OS/c1-5-6-18-11-19(25)13-20(12-18)30-24-21(15(2)3)22(23(26)29)16(4)28(24)14-17-7-9-27-10-8-17/h5,7-13,15H,1,6,14H2,2-4H3,(H2,26,29)