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

Systemtic Name: 7,8-dimethyl-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C19H16N4O2S MolecularWeight: 364.42094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=NC=C4)C

InChI

InChI=1S/C19H16N4O2S/c1-11-3-4-15-14(9-16(24)25-17(15)12(11)2)10-26-19-21-18(22-23-19)13-5-7-20-8-6-13/h3-9H,10H2,1-2H3,(H,21,22,23)