5-(3-cyanophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: 5-(3-cyanophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Openeye Name: 5-(3-cyanophenyl)sulfanyl-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide CAS Name: 5-[(3-cyanophenyl)thio]-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxamide IUPAC Name: 5-(3-cyanophenyl)sulfanyl-2-methyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Traditional Name: 5-[(3-cyanophenyl)thio]-4-isopropyl-2-methyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4OS/c1-14(2)19-20(21(24)27)15(3)26(13-16-7-9-25-10-8-16)22(19)28-18-6-4-5-17(11-18)12-23/h4-11,14H,13H2,1-3H3,(H2,24,27)