4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C21H19N3O3S/c1-3-13-4-6-14(7-5-13)20-22-21(24-23-20)28-11-15-10-18(26)27-19-12(2)17(25)9-8-16(15)19/h4-10,25H,3,11H2,1-2H3,(H,22,23,24)