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

Systemtic Name: 7,8-dimethyl-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3C)C)C4=CC=NC=C4

InChI

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