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

Systemtic Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-methyl-N-[1-(3-nitrophenyl)ethyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H17N5O3S2/c1-11(12-5-3-6-13(9-12)22(24)25)20(2)15(23)10-21-16(18-19-17(21)26)14-7-4-8-27-14/h3-9,11H,10H2,1-2H3,(H,19,26)