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

Systemtic Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(3-methoxyphenyl)-5-(phenethylthio)-1,2,4-triazole Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c1-26-19-10-5-9-18(15-19)21-23-24-22(25(21)16-20-11-6-13-27-20)28-14-12-17-7-3-2-4-8-17/h2-11,13,15H,12,14,16H2,1H3