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

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2S/c1-4-25-21(16-8-6-5-7-9-16)23-24-22(25)28-13-17-12-19(26)27-20-15(3)14(2)10-11-18(17)20/h5-12H,4,13H2,1-3H3