1-(2,5-dimethylphenyl)-4-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(2,5-dimethylphenyl)-4-[[4-(3-thienylmethyl)piperazine-1,4-diium-1-yl]methyl]tetrazole-5-thione CAS Name: 1-(2,5-dimethylphenyl)-4-[[4-(3-thiophenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-5-tetrazolethione IUPAC Name: 1-(2,5-dimethylphenyl)-4-[[4-(thiophen-3-ylmethyl)piperazine-1,4-diium-1-yl]methyl]tetrazole-5-thione Traditional Name: 1-(2,5-dimethylphenyl)-4-[[4-(3-thenyl)piperazine-1,4-diium-1-yl]methyl]tetrazole-5-thione Formula: C19H26N6S2+2 MolecularWeight: 402.57994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=S)N(N=N2)C[NH+]3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=S)N(N=N2)C[NH+]3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C19H24N6S2/c1-15-3-4-16(2)18(11-15)25-19(26)24(20-21-25)14-23-8-6-22(7-9-23)12-17-5-10-27-13-17/h3-5,10-11,13H,6-9,12,14H2,1-2H3/p+2