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

Systemtic Name: 4-phenethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-[(5-phenylisoxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-[(5-phenyl-3-isoxazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-[(5-phenylisoxazol-3-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O2S/c25-19-21-22-20(24(19)12-11-15-7-3-1-4-8-15)27-14-17-13-18(26-23-17)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,21,25)