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

Systemtic Name: 3-[3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[2-(3-nitrophenoxy)ethylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[2-(3-nitrophenoxy)ethylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCCSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S2/c18-15(23)6-7-21-16(14-5-2-9-27-14)19-20-17(21)28-10-8-26-13-4-1-3-12(11-13)22(24)25/h1-5,9,11H,6-8,10H2,(H2,18,23)