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

Systemtic Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-(3-methoxyphenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(3-methoxyphenyl)-5-[(2-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(3-methoxyphenyl)-5-[(2-methylbenzyl)thio]-1,2,4-triazole Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H21N3O2S/c1-16-7-3-4-8-18(16)15-28-22-24-23-21(17-9-5-10-19(13-17)26-2)25(22)14-20-11-6-12-27-20/h3-13H,14-15H2,1-2H3