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

Systemtic Name: 4-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(4-methoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(4-methoxyphenyl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4CCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4CCCCO4

InChI

InChI=1S/C20H23N3O3S/c1-24-16-9-7-15(8-10-16)19-21-22-20(23(19)13-17-6-4-12-25-17)27-14-18-5-2-3-11-26-18/h4,6-10,12,18H,2-3,5,11,13-14H2,1H3