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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H30N7OS+ MolecularWeight: 500.6384

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H29N7OS/c1-2-32-15-17-33(18-16-32)23-12-10-22(11-13-23)29-25(35)20-36-27-31-30-26(21-7-6-14-28-19-21)34(27)24-8-4-3-5-9-24/h3-14,19H,2,15-18,20H2,1H3,(H,29,35)/p+1