2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-(7-ethyl-1H-indol-3-yl)ethanone Openeye Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(7-ethyl-1H-indol-3-yl)ethanone CAS Name: 2-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]-1-(7-ethyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(7-ethyl-1H-indol-3-yl)ethanone Traditional Name: 2-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]-1-(7-ethyl-1H-indol-3-yl)ethanone Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=NN3C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=NN=NN3C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C21H21N5OS/c1-4-15-6-5-7-17-18(11-22-20(15)17)19(27)12-28-21-23-24-25-26(21)16-9-8-13(2)14(3)10-16/h5-11,22H,4,12H2,1-3H3