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

Systemtic Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-[4-(4-cyclohexyl-1-piperazinyl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-cyclohexylpiperazino)phenyl]-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C26H33N6OS+ MolecularWeight: 477.64482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](NC=N4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](NC=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H32N6OS/c33-25(19-34-26-27-20-28-32(26)24-9-5-2-6-10-24)29-21-11-13-23(14-12-21)31-17-15-30(16-18-31)22-7-3-1-4-8-22/h2,5-6,9-14,20,22H,1,3-4,7-8,15-19H2,(H,29,33)/p+1