8-methyl-7-oxidanyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C24H18N4O3S MolecularWeight: 442.48972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5)O

InChI

InChI=1S/C24H18N4O3S/c1-15-20(29)8-7-19-17(13-21(30)31-22(15)19)14-32-24-27-26-23(16-9-11-25-12-10-16)28(24)18-5-3-2-4-6-18/h2-13,29H,14H2,1H3