5-(4-bromophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-2-furamide Formula: C16H14BrN5O2S2 MolecularWeight: 452.34866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Br)SC

InChI

InChI=1S/C16H14BrN5O2S2/c1-9-19-20-16(26-2)22(9)21-15(25)18-14(23)13-8-7-12(24-13)10-3-5-11(17)6-4-10/h3-8H,1-2H3,(H2,18,21,23,25)