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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O4S/c1-22-17(12-6-4-3-5-7-12)20-21-18(22)28-11-16(24)19-14-9-8-13(27-2)10-15(14)23(25)26/h3-10H,11H2,1-2H3,(H,19,24)