2-[3-[(4-aminocarbonylphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[(4-aminocarbonylphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[(4-carbamoylphenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[(4-carbamoylphenyl)methylthio]-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[(4-carbamoylphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[(4-carbamoylbenzyl)thio]-5-(m-tolyl)-1,2,4-triazol-4-yl]acetate Formula: C19H17N4O3S- MolecularWeight: 381.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)[O-])SCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)[O-])SCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H18N4O3S/c1-12-3-2-4-15(9-12)18-21-22-19(23(18)10-16(24)25)27-11-13-5-7-14(8-6-13)17(20)26/h2-9H,10-11H2,1H3,(H2,20,26)(H,24,25)/p-1