7-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-chromen-2-one

Systemtic Name: 7-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-chromen-2-one Openeye Name: 7-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-chromen-2-one CAS Name: 7-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethylchromen-2-one Traditional Name: 7-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-4,8-dimethyl-coumarin Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=NNC(=S)N3C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=NNC(=S)N3C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrN3O3S/c1-11-9-18(25)27-19-12(2)16(8-7-15(11)19)26-10-17-22-23-20(28)24(17)14-5-3-13(21)4-6-14/h3-9H,10H2,1-2H3,(H,23,28)