N-[1-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[[4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]benzamide Formula: C23H27N6OS+ MolecularWeight: 435.56508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C23H26N6OS/c30-22(17-5-2-1-3-6-17)25-19-10-13-27(14-11-19)16-28-23(31)29(20-8-9-20)21(26-28)18-7-4-12-24-15-18/h1-7,12,15,19-20H,8-11,13-14,16H2,(H,25,30)/p+1