1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyl-tetrazole-5-thione CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-4-phenyl-5-tetrazolethione IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-phenyltetrazole-5-thione Traditional Name: 1-phenyl-4-[(4-piperonylpiperazino)methyl]tetrazole-5-thione Formula: C20H22N6O2S MolecularWeight: 410.49268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=S)N(N=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=S)N(N=N4)C5=CC=CC=C5

InChI

InChI=1S/C20H22N6O2S/c29-20-25(21-22-26(20)17-4-2-1-3-5-17)14-24-10-8-23(9-11-24)13-16-6-7-18-19(12-16)28-15-27-18/h1-7,12H,8-11,13-15H2