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

Systemtic Name: 7-methyl-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C21H20N4O2S/c1-3-10-25-20(15-6-8-22-9-7-15)23-24-21(25)28-13-16-12-19(26)27-18-11-14(2)4-5-17(16)18/h4-9,11-12H,3,10,13H2,1-2H3