N-(2-methyl-6-nitro-phenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-6-nitro-phenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-6-nitro-phenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-methyl-6-nitrophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methyl-6-nitrophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-methyl-6-nitro-phenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NC2=C(C=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C14H17N5O3S/c1-3-5-11-15-14(18-17-11)23-8-12(20)16-13-9(2)6-4-7-10(13)19(21)22/h4,6-7H,3,5,8H2,1-2H3,(H,16,20)(H,15,17,18)