4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4CCCCC4)C)C

InChI

InChI=1S/C21H25N3O2S/c1-13-9-10-18-16(11-19(25)26-20(18)14(13)2)12-27-21-23-22-15(3)24(21)17-7-5-4-6-8-17/h9-11,17H,4-8,12H2,1-3H3