1-[(3R,7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[(3R,7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[(3R,7E)-3-(2-furyl)-7-(2-furylmethylene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[(3R,7E)-3-(2-furanyl)-7-(2-furanylmethylidene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[(3R,7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[(3R,7E)-7-(2-furfurylidene)-3-(2-furyl)-3,4,5,6-tetrahydro-1H-indazol-2-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=CO2)C3=C(C1)C(N(N3)C(=O)CSC4=NC=NN4)C5=CC=CO5

Isomeric SMILES

C1C/C(=C\C2=CC=CO2)/C3=C(C1)[C@@H](N(N3)C(=O)CSC4=NC=NN4)C5=CC=CO5

InChI

InChI=1S/C20H19N5O3S/c26-17(11-29-20-21-12-22-23-20)25-19(16-7-3-9-28-16)15-6-1-4-13(18(15)24-25)10-14-5-2-8-27-14/h2-3,5,7-10,12,19,24H,1,4,6,11H2,(H,21,22,23)/b13-10+/t19-/m1/s1