N-[2-methyl-5-[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanoylamino]phenyl]benzamide

Systemtic Name: N-[2-methyl-5-[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanoylamino]phenyl]benzamide Openeye Name: N-[2-methyl-5-[[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl]amino]phenyl]benzamide CAS Name: N-[2-methyl-5-[[1-oxo-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]ethyl]amino]phenyl]benzamide IUPAC Name: N-[2-methyl-5-[[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetyl]amino]phenyl]benzamide Traditional Name: N-[2-methyl-5-[[2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetyl]amino]phenyl]benzamide Formula: C24H22N5O2S+ MolecularWeight: 444.52878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21N5O2S/c1-17-12-13-19(14-21(17)28-23(31)18-8-4-2-5-9-18)27-22(30)15-32-24-25-16-26-29(24)20-10-6-3-7-11-20/h2-14,16H,15H2,1H3,(H2,27,28,30,31)/p+1