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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4)CC

InChI

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