3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(1,3-benzodioxol-5-ylmethylthio)-4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(3-methoxyphenyl)-5-(piperonylthio)-1,2,4-triazole Formula: C22H19N3O4S MolecularWeight: 421.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N3O4S/c1-26-17-5-2-4-16(11-17)21-23-24-22(25(21)12-18-6-3-9-27-18)30-13-15-7-8-19-20(10-15)29-14-28-19/h2-11H,12-14H2,1H3