4-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)CCC4CCCCC4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)CCC4CCCCC4)C

InChI

InChI=1S/C22H28N4O2S/c1-14-10-18-17(12-21(27)28-19(18)11-15(14)2)13-29-22-25-24-20(26(22)23)9-8-16-6-4-3-5-7-16/h10-12,16H,3-9,13,23H2,1-2H3