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

Systemtic Name: 2-[4-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C15H20N7S+ MolecularWeight: 330.4312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C15H19N7S/c1-12-18-22(15(23)19(12)2)11-20-5-7-21(8-6-20)14-9-13(10-16)3-4-17-14/h3-4,9H,5-8,11H2,1-2H3/p+1