5-(4-bromophenyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]-2-furamide Formula: C21H17BrN4O2S MolecularWeight: 469.35428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4O2S/c1-13-23-21(26-25-13)29-12-14-2-8-17(9-3-14)24-20(27)19-11-10-18(28-19)15-4-6-16(22)7-5-15/h2-11H,12H2,1H3,(H,24,27)(H,23,25,26)