ethyl 3-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylate

Systemtic Name: ethyl 3-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylate Openeye Name: ethyl 3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-thioxo-1H-benzimidazole-4-carboxylate CAS Name: 3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylate Traditional Name: 3-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]-2-thioxo-1H-benzimidazole-4-carboxylic acid ethyl ester Formula: C24H20N6O2S MolecularWeight: 456.5196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)NC(=S)N2CC3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)NC(=S)N2CC3=CC(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5

InChI

InChI=1S/C24H20N6O2S/c1-2-32-23(31)18-9-6-10-20-21(18)30(24(33)25-20)14-15-11-12-17(16-7-4-3-5-8-16)19(13-15)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,25,33)(H,26,27,28,29)