N-(cyanomethyl)-4-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[4-(3-nitrophenyl)-2-thiazolyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]valeramide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC#N

InChI

InChI=1S/C17H18N4O3S/c1-11(2)8-14(16(22)19-7-6-18)17-20-15(10-25-17)12-4-3-5-13(9-12)21(23)24/h3-5,9-11,14H,7-8H2,1-2H3,(H,19,22)