4-cyclopropyl-3-[2-(3-methoxyphenyl)-2-oxidanyl-ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-cyclopropyl-3-[2-(3-methoxyphenyl)-2-oxidanyl-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C14H17N3O3S MolecularWeight: 307.36808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CSC2=NNC(=O)N2C3CC3)O

Isomeric SMILES

COC1=CC=CC(=C1)C(CSC2=NNC(=O)N2C3CC3)O

InChI

InChI=1S/C14H17N3O3S/c1-20-11-4-2-3-9(7-11)12(18)8-21-14-16-15-13(19)17(14)10-5-6-10/h2-4,7,10,12,18H,5-6,8H2,1H3,(H,15,19)