1-butyl-N-(2-ethylhexyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

Systemtic Name: 1-butyl-N-(2-ethylhexyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Openeye Name: 1-butyl-N-(2-ethylhexyl)-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxamide CAS Name: 1-butyl-N-(2-ethylhexyl)-2-methyl-5-[2-(2-pyrazinyl)-4-thiazolyl]-3-pyrrolecarboxamide IUPAC Name: 1-butyl-N-(2-ethylhexyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Traditional Name: 1-butyl-N-(2-ethylhexyl)-2-methyl-5-(2-pyrazin-2-ylthiazol-4-yl)pyrrole-3-carboxamide Formula: C25H35N5OS MolecularWeight: 453.6433

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=NC=CN=C3)CCCC)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=NC=CN=C3)CCCC)C

InChI

InChI=1S/C25H35N5OS/c1-5-8-10-19(7-3)15-28-24(31)20-14-23(30(18(20)4)13-9-6-2)22-17-32-25(29-22)21-16-26-11-12-27-21/h11-12,14,16-17,19H,5-10,13,15H2,1-4H3,(H,28,31)