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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide Formula: C18H18N6O5S MolecularWeight: 430.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C18H18N6O5S/c1-2-28-13-3-5-14(6-4-13)29-15-8-11(7-12(9-15)24(26)27)20-16(25)10-30-18-21-17(19)22-23-18/h3-9H,2,10H2,1H3,(H,20,25)(H3,19,21,22,23)