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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=O)NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C20H17N3O4S/c1-12(13-5-3-2-4-6-13)23-19(26)21-22-20(23)28-11-14-9-18(25)27-17-10-15(24)7-8-16(14)17/h2-10,12,24H,11H2,1H3,(H,21,26)/t12-/m1/s1