N-(cyanomethyl)-4-methyl-2-[3-(5-nitro-1,3-thiazol-2-yl)phenyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[3-(5-nitro-1,3-thiazol-2-yl)phenyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[3-(5-nitrothiazol-2-yl)phenyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[3-(5-nitro-2-thiazolyl)phenyl]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[3-(5-nitro-1,3-thiazol-2-yl)phenyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[3-(5-nitrothiazol-2-yl)phenyl]valeramide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=NC=C(S2)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=NC=C(S2)[N+](=O)[O-])C(=O)NCC#N

InChI

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