2-[3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[2-(3-nitrophenoxy)ethylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[2-(3-nitrophenoxy)ethylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide Formula: C16H15N5O4S2 MolecularWeight: 405.4514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSC2=NN=C(N2CC(=O)N)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCCSC2=NN=C(N2CC(=O)N)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O4S2/c17-14(22)10-20-15(13-5-2-7-26-13)18-19-16(20)27-8-6-25-12-4-1-3-11(9-12)21(23)24/h1-5,7,9H,6,8,10H2,(H2,17,22)