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

Systemtic Name: 2-[4-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]isonicotinonitrile Formula: C20H22N7S2+ MolecularWeight: 424.56558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N)C5=CC=CS5

InChI

InChI=1S/C20H21N7S2/c21-13-15-5-6-22-18(12-15)25-9-7-24(8-10-25)14-26-20(28)27(16-3-4-16)19(23-26)17-2-1-11-29-17/h1-2,5-6,11-12,16H,3-4,7-10,14H2/p+1