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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)CCC4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)CCC4CCCCC4

InChI

InChI=1S/C22H28N4O2S/c1-2-15-8-10-18-17(13-21(27)28-19(18)12-15)14-29-22-25-24-20(26(22)23)11-9-16-6-4-3-5-7-16/h8,10,12-13,16H,2-7,9,11,14,23H2,1H3