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

Systemtic Name: 4-phenethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-[(2-thiophen-2-yl-4-oxazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-[[2-(2-thienyl)oxazol-4-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H16N4O2S2/c23-17-20-21-18(22(17)9-8-13-5-2-1-3-6-13)26-12-14-11-24-16(19-14)15-7-4-10-25-15/h1-7,10-11H,8-9,12H2,(H,20,23)