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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-methyl-4-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=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S/c1-3-4-12-16-14(18-17-12)23-8-13(20)15-11-6-5-10(19(21)22)7-9(11)2/h5-7H,3-4,8H2,1-2H3,(H,15,20)(H,16,17,18)