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

Systemtic Name: 3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O4S/c22-13-6-7-14-11(8-16(23)25-15(14)9-13)10-26-18-20-19-17(24)21(18)12-4-2-1-3-5-12/h1-9,22H,10H2,(H,19,24)