N-[(2-methyl-6-nitro-phenyl)methyl]-4-prop-2-enoxy-2-pyridin-4-yl-2H-1,3-thiazole-3-carboxamide

Systemtic Name: N-[(2-methyl-6-nitro-phenyl)methyl]-4-prop-2-enoxy-2-pyridin-4-yl-2H-1,3-thiazole-3-carboxamide Openeye Name: 4-allyloxy-N-[(2-methyl-6-nitro-phenyl)methyl]-2-(4-pyridyl)-2H-thiazole-3-carboxamide CAS Name: N-[(2-methyl-6-nitrophenyl)methyl]-4-prop-2-enoxy-2-pyridin-4-yl-2H-thiazole-3-carboxamide IUPAC Name: N-[(2-methyl-6-nitrophenyl)methyl]-4-prop-2-enoxy-2-pyridin-4-yl-2H-1,3-thiazole-3-carboxamide Traditional Name: 4-allyloxy-N-(2-methyl-6-nitro-benzyl)-2-(4-pyridyl)-4-thiazoline-3-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])CNC(=O)N2C(SC=C2OCC=C)C3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])CNC(=O)N2C(SC=C2OCC=C)C3=CC=NC=C3

InChI

InChI=1S/C20H20N4O4S/c1-3-11-28-18-13-29-19(15-7-9-21-10-8-15)23(18)20(25)22-12-16-14(2)5-4-6-17(16)24(26)27/h3-10,13,19H,1,11-12H2,2H3,(H,22,25)