3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H17N3O4S/c24-15-6-7-16-14(10-18(25)27-17(16)11-15)12-28-20-22-21-19(26)23(20)9-8-13-4-2-1-3-5-13/h1-7,10-11,24H,8-9,12H2,(H,21,26)