N-cyclopropyl-2-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H29N6O2S+ MolecularWeight: 429.55896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2S/c1-2-27-20(16-6-4-3-5-7-16)23-24-21(27)30-15-19(29)26-12-10-25(11-13-26)14-18(28)22-17-8-9-17/h3-7,17H,2,8-15H2,1H3,(H,22,28)/p+1