4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4=CC=CS4

InChI

InChI=1S/C20H19N3O2S2/c1-4-23-19(17-6-5-7-26-17)21-22-20(23)27-11-14-10-18(24)25-16-9-13(3)12(2)8-15(14)16/h5-10H,4,11H2,1-3H3