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

Systemtic Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)C

InChI

InChI=1S/C20H23N3O2S/c1-13-8-9-17-15(11-19(24)25-18(17)10-13)12-26-20-22-21-14(2)23(20)16-6-4-3-5-7-16/h8-11,16H,3-7,12H2,1-2H3