7-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-6-ethyl-4-methyl-chromen-2-one

Systemtic Name: 7-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-6-ethyl-4-methyl-chromen-2-one Openeye Name: 7-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-6-ethyl-4-methyl-chromen-2-one CAS Name: 7-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-6-ethyl-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-6-ethyl-4-methylchromen-2-one Traditional Name: 7-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-6-ethyl-4-methyl-coumarin Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC3=NNC(=S)N3C4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OCC3=NNC(=S)N3C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3S/c1-3-13-9-16-12(2)8-20(26)28-18(16)10-17(13)27-11-19-23-24-21(29)25(19)15-6-4-14(22)5-7-15/h4-10H,3,11H2,1-2H3,(H,24,29)