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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(2-furylmethyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-furanylmethyl)-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(2-furfuryl)-5-(m-anisylthio)-1,2,4-triazole Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H27N3O2S/c1-25(2,3)20-12-10-19(11-13-20)23-26-27-24(28(23)16-22-9-6-14-30-22)31-17-18-7-5-8-21(15-18)29-4/h5-15H,16-17H2,1-4H3