6-chloranyl-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C20H17ClN4O2S MolecularWeight: 412.89258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O2S/c1-3-25-19(13-4-6-22-7-5-13)23-24-20(25)28-11-14-9-18(26)27-17-8-12(2)16(21)10-15(14)17/h4-10H,3,11H2,1-2H3