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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazole Openeye Name: 4-(4-benzyloxyphenyl)-3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-furanyl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(furan-2-yl)-4-(4-phenylmethoxyphenyl)-1,2,4-triazole Traditional Name: 4-(4-benzoxyphenyl)-3-[(4-tert-butylbenzyl)thio]-5-(2-furyl)-1,2,4-triazole Formula: C30H29N3O2S MolecularWeight: 495.63516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C30H29N3O2S/c1-30(2,3)24-13-11-23(12-14-24)21-36-29-32-31-28(27-10-7-19-34-27)33(29)25-15-17-26(18-16-25)35-20-22-8-5-4-6-9-22/h4-19H,20-21H2,1-3H3