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

Systemtic Name: (3R)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: (3R)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3R)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: (3R)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: (3R)-3-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SC4CCOC4=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)S[C@@H]4CCOC4=O

InChI

InChI=1S/C21H21N3O3S/c1-26-17-9-7-16(8-10-17)19-22-23-21(28-18-12-14-27-20(18)25)24(19)13-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3/t18-/m1/s1