3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(2-furyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(3,4-diethoxyphenyl)methylthio]-5-(2-furanyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3,4-diethoxyphenyl)methylsulfanyl]-5-(furan-2-yl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3,4-diethoxybenzyl)thio]-5-(2-furyl)-4-phenyl-1,2,4-triazole Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4)OCC

InChI

InChI=1S/C23H23N3O3S/c1-3-27-19-13-12-17(15-21(19)28-4-2)16-30-23-25-24-22(20-11-8-14-29-20)26(23)18-9-6-5-7-10-18/h5-15H,3-4,16H2,1-2H3