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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(2-furylmethyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-furanylmethyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(2-furfuryl)-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-23(2,3)18-11-9-17(10-12-18)21-24-25-22(26(21)15-19-8-6-14-27-19)29-16-20-7-4-5-13-28-20/h6,8-12,14,20H,4-5,7,13,15-16H2,1-3H3