3-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[5-(4-methoxyphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SC3CCOC3=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SC3CCOC3=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H21N3O4S/c1-3-27-17-10-6-15(7-11-17)24-19(14-4-8-16(26-2)9-5-14)22-23-21(24)29-18-12-13-28-20(18)25/h4-11,18H,3,12-13H2,1-2H3