3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-[(3-p-phenetyl-1,2,4-oxadiazol-5-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c1-2-28-17-10-8-16(9-11-17)19-22-18(29-25-19)14-30-21-24-23-20(27)26(21)13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,23,27)