N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C21H25N6OS+ MolecularWeight: 409.5278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C21H24N6OS/c1-26-10-12-27(13-11-26)19-8-6-18(7-9-19)24-20(28)17-4-2-16(3-5-17)14-29-21-22-15-23-25-21/h2-9,15H,10-14H2,1H3,(H,24,28)(H,22,23,25)/p+1