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

Systemtic Name: 4-phenethyl-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NOC(=N1)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S/c1-11(2)14-18-15(24-21-14)12(3)25-17-20-19-16(23)22(17)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H,19,23)