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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)OC

InChI

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