1,3-benzodioxol-5-yl-[4-[(4-tert-butyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(4-tert-butyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(4-tert-butyl-5-thioxo-tetrazol-1-yl)methyl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(4-tert-butyl-5-sulfanylidene-1-tetrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(4-tert-butyl-5-sulfanylidenetetrazol-1-yl)methyl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(4-tert-butyl-5-thioxo-tetrazol-1-yl)methyl]piperazino]methanone Formula: C18H24N6O3S MolecularWeight: 404.48656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=S)N(N=N1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)N1C(=S)N(N=N1)CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H24N6O3S/c1-18(2,3)24-17(28)23(19-20-24)11-21-6-8-22(9-7-21)16(25)13-4-5-14-15(10-13)27-12-26-14/h4-5,10H,6-9,11-12H2,1-3H3