4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C4=CC=CC=C4C

InChI

InChI=1S/C23H23N3O2S/c1-5-26-22(18-9-7-6-8-15(18)3)24-25-23(26)29-13-17-12-20(27)28-21-16(4)14(2)10-11-19(17)21/h6-12H,5,13H2,1-4H3