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

Systemtic Name: 4-(3-methoxypropyl)-3-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-methoxypropyl)-3-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=O)N3CCCOC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=O)N3CCCOC)C(C)C

InChI

InChI=1S/C20H25N3O4S/c1-12(2)15-10-16-14(9-18(24)27-17(16)8-13(15)3)11-28-20-22-21-19(25)23(20)6-5-7-26-4/h8-10,12H,5-7,11H2,1-4H3,(H,21,25)