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

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[phenyl-[1-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazine Openeye Name: 1-(2,3-dimethylphenyl)-4-[phenyl-[1-(2-thienylmethyl)tetrazol-5-yl]methyl]piperazine CAS Name: 1-(2,3-dimethylphenyl)-4-[phenyl-[1-(thiophen-2-ylmethyl)-5-tetrazolyl]methyl]piperazine IUPAC Name: 1-(2,3-dimethylphenyl)-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine Traditional Name: 1-(2,3-dimethylphenyl)-4-[phenyl-[1-(2-thenyl)tetrazol-5-yl]methyl]piperazine Formula: C25H28N6S MolecularWeight: 444.59502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=NN=NN4CC5=CC=CS5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CC=CC=C3)C4=NN=NN4CC5=CC=CS5)C

InChI

InChI=1S/C25H28N6S/c1-19-8-6-12-23(20(19)2)29-13-15-30(16-14-29)24(21-9-4-3-5-10-21)25-26-27-28-31(25)18-22-11-7-17-32-22/h3-12,17,24H,13-16,18H2,1-2H3