6,7-dimethyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(4-pentyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(4-amyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C19H23N3O2S MolecularWeight: 357.46982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C19H23N3O2S/c1-4-5-6-7-22-12-20-21-19(22)25-11-15-10-18(23)24-17-9-14(3)13(2)8-16(15)17/h8-10,12H,4-7,11H2,1-3H3