N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3S/c1-4-5-6-7-21-11-18-20-17(21)26-10-16(23)19-14-8-12(2)13(3)9-15(14)22(24)25/h8-9,11H,4-7,10H2,1-3H3,(H,19,23)