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

Systemtic Name: 7-methyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(4-pentyl-1,2,4-triazol-3-yl)thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(4-amyl-1,2,4-triazol-3-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c1-5-6-7-8-24-13-22-23-21(24)27-12-16-10-20(25)26-19-9-15(4)17(14(2)3)11-18(16)19/h9-11,13-14H,5-8,12H2,1-4H3