5-bromanyl-3-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carbonitrile

Systemtic Name: 5-bromanyl-3-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carbonitrile Openeye Name: 5-bromo-3-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzofuran-2-carbonitrile CAS Name: 5-bromo-3-[[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-benzofurancarbonitrile IUPAC Name: 5-bromo-3-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1-benzofuran-2-carbonitrile Traditional Name: 5-bromo-3-[[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]coumarilonitrile Formula: C19H13BrN4O2S MolecularWeight: 441.30112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN=C2SCC3=C(OC4=C3C=C(C=C4)Br)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN=C2SCC3=C(OC4=C3C=C(C=C4)Br)C#N

InChI

InChI=1S/C19H13BrN4O2S/c1-25-14-5-3-13(4-6-14)24-11-22-23-19(24)27-10-16-15-8-12(20)2-7-17(15)26-18(16)9-21/h2-8,11H,10H2,1H3