4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C18H13BrN4O3S MolecularWeight: 445.28982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)O)Br

InChI

InChI=1S/C18H13BrN4O3S/c19-14-4-2-1-3-13(14)17-21-22-18(23(17)20)27-9-10-7-16(25)26-15-8-11(24)5-6-12(10)15/h1-8,24H,9,20H2