2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H31N6OS+ MolecularWeight: 415.57544

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4CCCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NNC(=N3)C4CCCC4

InChI

InChI=1S/C21H30N6OS/c1-2-26-11-13-27(14-12-26)18-9-7-17(8-10-18)22-19(28)15-29-21-23-20(24-25-21)16-5-3-4-6-16/h7-10,16H,2-6,11-15H2,1H3,(H,22,28)(H,23,24,25)/p+1