N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N5O5S2/c1-28-14-10-12(13(24(26)27)11-15(14)29-2)5-7-20-17(25)6-8-23-18(21-22-19(23)30)16-4-3-9-31-16/h3-4,9-11H,5-8H2,1-2H3,(H,20,25)(H,22,30)