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

Systemtic Name: 4-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methoxy]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methoxy]-7-hydroxy-coumarin Formula: C18H12BrN3O4S MolecularWeight: 446.27458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NNC2=S)COC3=CC(=O)OC4=C3C=CC(=C4)O)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=NNC2=S)COC3=CC(=O)OC4=C3C=CC(=C4)O)Br

InChI

InChI=1S/C18H12BrN3O4S/c19-10-1-3-11(4-2-10)22-16(20-21-18(22)27)9-25-14-8-17(24)26-15-7-12(23)5-6-13(14)15/h1-8,23H,9H2,(H,21,27)