4-(3-methylbutyl)-1-[(3-nitrophenyl)methyl]-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide

Systemtic Name: 4-(3-methylbutyl)-1-[(3-nitrophenyl)methyl]-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide Openeye Name: 4-isopentyl-1-[(3-nitrophenyl)methyl]-N-thiazol-2-yl-pyrrole-2-carboxamide CAS Name: 4-(3-methylbutyl)-1-[(3-nitrophenyl)methyl]-N-(2-thiazolyl)-2-pyrrolecarboxamide IUPAC Name: 4-(3-methylbutyl)-1-[(3-nitrophenyl)methyl]-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide Traditional Name: 4-isoamyl-1-(3-nitrobenzyl)-N-thiazol-2-yl-pyrrole-2-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CN(C(=C1)C(=O)NC2=NC=CS2)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC1=CN(C(=C1)C(=O)NC2=NC=CS2)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-14(2)6-7-16-11-18(19(25)22-20-21-8-9-28-20)23(13-16)12-15-4-3-5-17(10-15)24(26)27/h3-5,8-11,13-14H,6-7,12H2,1-2H3,(H,21,22,25)