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

Systemtic Name: 4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromochromen-2-one Traditional Name: 4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-coumarin Formula: C19H15BrN4O3S MolecularWeight: 459.3164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C19H15BrN4O3S/c1-26-14-5-2-11(3-6-14)18-22-23-19(24(18)21)28-10-12-8-17(25)27-16-9-13(20)4-7-15(12)16/h2-9H,10,21H2,1H3