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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-1-ium-3-ylmethyl)ethanamide Openeye Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-1-ium-3-ylmethyl)acetamide CAS Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridin-1-iumylmethyl)acetamide IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-1-ium-3-ylmethyl)acetamide Traditional Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(pyridin-1-ium-3-ylmethyl)acetamide Formula: C23H22N5O2S+ MolecularWeight: 432.51808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-30-20-11-5-8-18(13-20)22-26-27-23(28(22)19-9-3-2-4-10-19)31-16-21(29)25-15-17-7-6-12-24-14-17/h2-14H,15-16H2,1H3,(H,25,29)/p+1