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

Systemtic Name: 2-[4-[(4-tert-butyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(4-tert-butyl-5-thioxo-tetrazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-tert-butyl-5-sulfanylidene-1-tetrazolyl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-tert-butyl-5-sulfanylidenetetrazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-tert-butyl-5-thioxo-tetrazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C16H22N8S MolecularWeight: 358.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=S)N(N=N1)CN2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)N1C(=S)N(N=N1)CN2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C16H22N8S/c1-16(2,3)24-15(25)23(19-20-24)12-21-6-8-22(9-7-21)14-10-13(11-17)4-5-18-14/h4-5,10H,6-9,12H2,1-3H3