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

Systemtic Name: 7-bromanyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C20H16BrN3O2S MolecularWeight: 442.32894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H16BrN3O2S/c1-2-24-19(13-6-4-3-5-7-13)22-23-20(24)27-12-14-10-18(25)26-17-11-15(21)8-9-16(14)17/h3-11H,2,12H2,1H3