N-(4-methoxy-2-nitro-phenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])CC3=CC=CS3

InChI

InChI=1S/C17H17N5O4S2/c1-21-15(9-12-4-3-7-27-12)19-20-17(21)28-10-16(23)18-13-6-5-11(26-2)8-14(13)22(24)25/h3-8H,9-10H2,1-2H3,(H,18,23)