N-tert-butyl-2-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C19H30N6OS+2 MolecularWeight: 390.5461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C(=S)N(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C(=S)N(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H28N6OS/c1-19(2,3)21-17(26)13-22-9-11-23(12-10-22)15-25-18(27)24(14-20-25)16-7-5-4-6-8-16/h4-8,14H,9-13,15H2,1-3H3,(H,21,26)/p+2