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

Systemtic Name: 4-(4-chlorophenyl)-3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-chlorophenyl)-3-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(4-chlorophenyl)-3-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(4-chlorophenyl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-chlorophenyl)-3-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C18H12ClN3O4S MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)O)Cl

InChI

InChI=1S/C18H12ClN3O4S/c19-11-1-3-12(4-2-11)22-17(25)20-21-18(22)27-9-10-7-16(24)26-15-8-13(23)5-6-14(10)15/h1-8,23H,9H2,(H,20,25)