N-(4-ethynyl-3-methyl-1,2-thiazol-5-yl)-2-[4-(4-nitrophenoxy)phenyl]ethanamide

Systemtic Name: N-(4-ethynyl-3-methyl-1,2-thiazol-5-yl)-2-[4-(4-nitrophenoxy)phenyl]ethanamide Openeye Name: N-(4-ethynyl-3-methyl-isothiazol-5-yl)-2-[4-(4-nitrophenoxy)phenyl]acetamide CAS Name: N-(4-ethynyl-3-methyl-5-isothiazolyl)-2-[4-(4-nitrophenoxy)phenyl]acetamide IUPAC Name: N-(4-ethynyl-3-methyl-1,2-thiazol-5-yl)-2-[4-(4-nitrophenoxy)phenyl]acetamide Traditional Name: N-(4-ethynyl-3-methyl-isothiazol-5-yl)-2-[4-(4-nitrophenoxy)phenyl]acetamide Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C#C)NC(=O)CC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NSC(=C1C#C)NC(=O)CC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S/c1-3-18-13(2)22-28-20(18)21-19(24)12-14-4-8-16(9-5-14)27-17-10-6-15(7-11-17)23(25)26/h1,4-11H,12H2,2H3,(H,21,24)