6-chloranyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN3O2S/c1-3-25-20(14-7-5-4-6-8-14)23-24-21(25)28-12-15-10-19(26)27-18-9-13(2)17(22)11-16(15)18/h4-11H,3,12H2,1-2H3