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

Systemtic Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)C4CCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-3-11-25-21(16-7-5-4-6-8-16)23-24-22(25)28-14-17-13-20(26)27-19-12-15(2)9-10-18(17)19/h3,9-10,12-13,16H,1,4-8,11,14H2,2H3