1-butyl-5-[2-(4-methoxy-3-nitro-phenyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-butyl-5-[2-(4-methoxy-3-nitro-phenyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-butyl-5-[2-(4-methoxy-3-nitro-phenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide CAS Name: 1-butyl-5-[2-(4-methoxy-3-nitrophenyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-butyl-5-[2-(4-methoxy-3-nitrophenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide Traditional Name: 1-butyl-5-[2-(4-methoxy-3-nitro-phenyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)N)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)N)C

InChI

InChI=1S/C20H22N4O4S/c1-4-5-8-23-12(2)14(19(21)25)10-16(23)15-11-29-20(22-15)13-6-7-18(28-3)17(9-13)24(26)27/h6-7,9-11H,4-5,8H2,1-3H3,(H2,21,25)