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

Systemtic Name: 2-[4-[(4-cyclohexyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(4-cyclohexyl-5-thioxo-tetrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-cyclohexyl-5-sulfanylidene-1-tetrazolyl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-cyclohexyl-5-sulfanylidenetetrazol-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-cyclohexyl-5-thioxo-tetrazol-1-yl)methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C18H25N8S+ MolecularWeight: 385.5097

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CCC(CC1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C18H24N8S/c19-13-15-6-7-20-17(12-15)24-10-8-23(9-11-24)14-25-18(27)26(22-21-25)16-4-2-1-3-5-16/h6-7,12,16H,1-5,8-11,14H2/p+1