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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methoxy-4-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-methoxy-4-nitro-phenyl)acetamide Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O4S/c1-3-4-5-8-20-11-17-19-16(20)26-10-15(22)18-13-7-6-12(21(23)24)9-14(13)25-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,18,22)