4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(m-anisylthio)-5-(3-methoxyphenyl)-1,2,4-triazole Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)OC

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H21N3O3S/c1-26-18-8-3-6-16(12-18)15-29-22-24-23-21(17-7-4-9-19(13-17)27-2)25(22)14-20-10-5-11-28-20/h3-13H,14-15H2,1-2H3