N-cyclopropyl-2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C18H26N6OS+2 MolecularWeight: 374.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C18H24N6OS/c25-16(19-15-6-7-15)12-22-8-10-23(11-9-22)13-24-18(26)20-17(21-24)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,19,25)(H,20,21,26)/p+2