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

Systemtic Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-2-15-8-10-17(11-9-15)19-22-18(28-25-19)14-29-21-24-23-20(27)26(21)13-12-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,23,27)