cyclopropyl-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: cyclopropyl-[4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: cyclopropyl-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: cyclopropyl-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: cyclopropyl-[4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H21N5OS/c23-16(14-6-7-14)20-10-8-19(9-11-20)13-22-17(24)21(12-18-22)15-4-2-1-3-5-15/h1-5,12,14H,6-11,13H2/p+1