N-[1-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide

Systemtic Name: N-[1-(3-chlorophenyl)-2-oxidanyl-ethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide Openeye Name: N-[1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-(6-isopropylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide CAS Name: N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-[6-(propan-2-ylthio)-4-pyrimidinyl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[1-(3-chlorophenyl)-2-hydroxyethyl]-4-(6-propan-2-ylsulfanylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide Traditional Name: N-[1-(3-chlorophenyl)-2-hydroxy-ethyl]-4-[6-(isopropylthio)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=NC(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)SC1=NC=NC(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-12(2)28-19-8-16(23-11-24-19)14-7-17(22-9-14)20(27)25-18(10-26)13-4-3-5-15(21)6-13/h3-9,11-12,18,22,26H,10H2,1-2H3,(H,25,27)