4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)C)O

InChI

InChI=1S/C21H25N3O3S/c1-3-14-9-17-15(10-20(26)27-19(17)11-18(14)25)12-28-21-23-22-13(2)24(21)16-7-5-4-6-8-16/h9-11,16,25H,3-8,12H2,1-2H3