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

Systemtic Name: 7-methoxy-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[(4-pentyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-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]-7-methoxy-coumarin Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CCCCCN1C=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C18H21N3O3S/c1-3-4-5-8-21-12-19-20-18(21)25-11-13-9-17(22)24-16-10-14(23-2)6-7-15(13)16/h6-7,9-10,12H,3-5,8,11H2,1-2H3