2-methyl-N,1,6-triphenyl-pyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide

Systemtic Name: 2-methyl-N,1,6-triphenyl-pyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide Openeye Name: 2-methyl-N,1,6-triphenyl-pyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide CAS Name: 2-methyl-N,1,6-triphenyl-5-pyrrolo[1,2-b][1,2,4]triazolecarbothioamide IUPAC Name: 2-methyl-N,1,6-triphenylpyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide Traditional Name: 2-methyl-N,1,6-triphenyl-pyrrolo[1,2-b][1,2,4]triazole-5-carbothioamide Formula: C25H20N4S MolecularWeight: 408.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=C2C(=S)NC3=CC=CC=C3)C4=CC=CC=C4)N1C5=CC=CC=C5

Isomeric SMILES

CC1=NN2C(=CC(=C2C(=S)NC3=CC=CC=C3)C4=CC=CC=C4)N1C5=CC=CC=C5

InChI

InChI=1S/C25H20N4S/c1-18-27-29-23(28(18)21-15-9-4-10-16-21)17-22(19-11-5-2-6-12-19)24(29)25(30)26-20-13-7-3-8-14-20/h2-17H,1H3,(H,26,30)