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

Systemtic Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NC(=NN2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NC(=NN2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

InChI

InChI=1S/C25H27N3O3S/c1-14(2)19-11-20-18(10-24(29)31-22(20)9-17(19)5)13-32-25-26-23(27-28-25)12-30-21-8-15(3)6-7-16(21)4/h6-11,14H,12-13H2,1-5H3,(H,26,27,28)