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

Systemtic Name: 4-phenethyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-p-cumenyl-1,2,4-oxadiazol-5-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-15(2)17-8-10-18(11-9-17)20-23-19(29-26-20)14-30-22-25-24-21(28)27(22)13-12-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,24,28)