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

Systemtic Name: 4-(2,3-dihydro-1H-inden-2-yl)-3-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]-4-indan-2-yl-1H-1,2,4-triazol-5-one CAS Name: 4-(2,3-dihydro-1H-inden-2-yl)-3-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(2,3-dihydro-1H-inden-2-yl)-3-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-4-indan-2-yl-1H-1,2,4-triazol-5-one Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)N3C(=O)NN=C3SCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1C(CC2=CC=CC=C21)N3C(=O)NN=C3SCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C21H17N3O4S/c25-16-5-6-17-14(9-19(26)28-18(17)10-16)11-29-21-23-22-20(27)24(21)15-7-12-3-1-2-4-13(12)8-15/h1-6,9-10,15,25H,7-8,11H2,(H,22,27)