cyclopropyl-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: cyclopropyl-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: cyclopropyl-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: cyclopropyl-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: cyclopropyl-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: cyclopropyl-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-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)21-10-8-20(9-11-21)12-22-17(24)18-15(19-22)13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,18,19,24)/p+1