[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C17H25N6OS+ MolecularWeight: 361.485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)C[NH+]2CCN(CC2)C(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H24N6OS/c1-17(2,3)15-19-16(25)23(20-15)12-21-8-10-22(11-9-21)14(24)13-4-6-18-7-5-13/h4-7H,8-12H2,1-3H3,(H,19,20,25)/p+1