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

Systemtic Name: 6,7-dimethyl-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C)C4=CC=NC=C4

InChI

InChI=1S/C22H22N4O2S/c1-4-9-26-21(16-5-7-23-8-6-16)24-25-22(26)29-13-17-12-20(27)28-19-11-15(3)14(2)10-18(17)19/h5-8,10-12H,4,9,13H2,1-3H3