6-(4-bromophenyl)-2-ethyl-7-methyl-N,1-diphenyl-pyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide

Systemtic Name: 6-(4-bromophenyl)-2-ethyl-7-methyl-N,1-diphenyl-pyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide Openeye Name: 6-(4-bromophenyl)-2-ethyl-7-methyl-N,1-diphenyl-pyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide CAS Name: 6-(4-bromophenyl)-2-ethyl-7-methyl-N,1-diphenyl-5-pyrrolo[1,2-b][1,2,4]triazolecarbothioamide IUPAC Name: 6-(4-bromophenyl)-2-ethyl-7-methyl-N,1-diphenylpyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide Traditional Name: 6-(4-bromophenyl)-2-ethyl-7-methyl-N,1-diphenyl-pyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide Formula: C27H23BrN4S MolecularWeight: 515.46732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=C(C(=C2N1C3=CC=CC=C3)C)C4=CC=C(C=C4)Br)C(=S)NC5=CC=CC=C5

Isomeric SMILES

CCC1=NN2C(=C(C(=C2N1C3=CC=CC=C3)C)C4=CC=C(C=C4)Br)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C27H23BrN4S/c1-3-23-30-32-25(26(33)29-21-10-6-4-7-11-21)24(19-14-16-20(28)17-15-19)18(2)27(32)31(23)22-12-8-5-9-13-22/h4-17H,3H2,1-2H3,(H,29,33)