2-[[5-[[(3-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[[(3-methylphenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(3-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(m-toluidinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetate Formula: C18H17N4O2S- MolecularWeight: 353.41818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C18H18N4O2S/c1-13-6-5-7-14(10-13)19-11-16-20-21-18(25-12-17(23)24)22(16)15-8-3-2-4-9-15/h2-10,19H,11-12H2,1H3,(H,23,24)/p-1