2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone

Systemtic Name: 2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone Openeye Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-indol-3-yl)-2-phenyl-ethanone CAS Name: 2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-(1H-indol-3-yl)-2-phenylethanone IUPAC Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(1H-indol-3-yl)-2-phenylethanone Traditional Name: 2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]-1-(1H-indol-3-yl)-2-phenyl-ethanone Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)C

InChI

InChI=1S/C25H21N5OS/c1-16-12-13-22(17(2)14-16)30-25(27-28-29-30)32-24(18-8-4-3-5-9-18)23(31)20-15-26-21-11-7-6-10-19(20)21/h3-15,24,26H,1-2H3