4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-[(4-nitrophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-[(4-nitrobenzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C18H14N4O3S2 MolecularWeight: 398.45876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C18H14N4O3S2/c23-22(24)14-7-5-13(6-8-14)12-27-18-20-19-17(16-4-2-10-26-16)21(18)11-15-3-1-9-25-15/h1-10H,11-12H2