1-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone

Systemtic Name: 1-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanone Openeye Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)ethanone CAS Name: 1-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]ethanone IUPAC Name: 2-(1-benzyltetrazol-5-yl)sulfanyl-1-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)ethanone Traditional Name: 2-[(1-benzyltetrazol-5-yl)thio]-1-(1,2,3,4,5,6,7,8-octahydrocarbazol-9-yl)ethanone Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N2C(=O)CSC4=NN=NN4CC5=CC=CC=C5)CCCC3

Isomeric SMILES

C1CCC2=C(C1)C3=C(N2C(=O)CSC4=NN=NN4CC5=CC=CC=C5)CCCC3

InChI

InChI=1S/C22H25N5OS/c28-21(15-29-22-23-24-25-26(22)14-16-8-2-1-3-9-16)27-19-12-6-4-10-17(19)18-11-5-7-13-20(18)27/h1-3,8-9H,4-7,10-15H2