2-[[5-[1-azanyl-2-(4-chlorophenyl)ethyl]-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[1-azanyl-2-(4-chlorophenyl)ethyl]-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[1-amino-2-(4-chlorophenyl)ethyl]-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[1-amino-2-(4-chlorophenyl)ethyl]-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[1-amino-2-(4-chlorophenyl)ethyl]-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[1-amino-2-(4-chlorophenyl)ethyl]-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)O)C(CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)O)C(CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C20H21ClN4O2S/c1-13-2-4-15(5-3-13)11-25-19(23-24-20(25)28-12-18(26)27)17(22)10-14-6-8-16(21)9-7-14/h2-9,17H,10-12,22H2,1H3,(H,26,27)