N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,3-dimethyl-6-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,3-dimethyl-6-nitrophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dimethyl-6-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-(2,3-dimethyl-6-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=CC(=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3S/c1-4-5-6-9-21-11-18-20-17(21)26-10-15(23)19-16-13(3)12(2)7-8-14(16)22(24)25/h7-8,11H,4-6,9-10H2,1-3H3,(H,19,23)