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

Systemtic Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C

InChI

InChI=1S/C24H25N3O2S/c1-5-16-6-8-17(9-7-16)23-25-24(27-26-23)30-13-18-11-22(28)29-21-10-15(4)19(14(2)3)12-20(18)21/h6-12,14H,5,13H2,1-4H3,(H,25,26,27)