N-[2-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-allyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]thiophene-2-carboxamide Formula: C19H19N5O3S2 MolecularWeight: 429.51586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CCNC(=O)C3=CC=CS3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CCNC(=O)C3=CC=CS3

InChI

InChI=1S/C19H19N5O3S2/c1-2-11-23-17(9-10-20-18(25)16-4-3-12-28-16)21-22-19(23)29-13-14-5-7-15(8-6-14)24(26)27/h2-8,12H,1,9-11,13H2,(H,20,25)