1-(2,5-dimethylphenyl)-4-[1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazine

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[1-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]piperazine Openeye Name: 1-(2,5-dimethylphenyl)-4-[1-[1-(2-thienylmethyl)tetrazol-5-yl]butyl]piperazine CAS Name: 1-(2,5-dimethylphenyl)-4-[1-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]butyl]piperazine IUPAC Name: 1-(2,5-dimethylphenyl)-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine Traditional Name: 1-(2,5-dimethylphenyl)-4-[1-[1-(2-thenyl)tetrazol-5-yl]butyl]piperazine Formula: C22H30N6S MolecularWeight: 410.5788

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCC(C1=NN=NN1CC2=CC=CS2)N3CCN(CC3)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C22H30N6S/c1-4-6-20(22-23-24-25-28(22)16-19-7-5-14-29-19)26-10-12-27(13-11-26)21-15-17(2)8-9-18(21)3/h5,7-9,14-15,20H,4,6,10-13,16H2,1-3H3