3-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-4-[[(2S)-2-oxolanyl]methyl]-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-4-[[(2S)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-5-one Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=O)N3CC4CCCO4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=O)N3C[C@@H]4CCCO4)C(C)C

InChI

InChI=1S/C21H25N3O4S/c1-12(2)16-9-17-14(8-19(25)28-18(17)7-13(16)3)11-29-21-23-22-20(26)24(21)10-15-5-4-6-27-15/h7-9,12,15H,4-6,10-11H2,1-3H3,(H,22,26)/t15-/m0/s1