N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[2-(4-nitrophenyl)-2-oxidanyl-ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N5O4S2/c23-13(11-3-5-12(6-4-11)22(25)26)10-18-15(24)7-8-21-16(19-20-17(21)27)14-2-1-9-28-14/h1-6,9,13,23H,7-8,10H2,(H,18,24)(H,20,27)