3-[2-[[5-[3-(4-methoxy-3-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[[5-[3-(4-methoxy-3-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[[5-[3-(4-methoxy-3-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-[3-(4-methoxy-3-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoate Formula: C23H25N4O4S- MolecularWeight: 453.534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC(=O)NC3=CC=CC(=C3)C(=O)[O-])OC

InChI

InChI=1S/C23H26N4O4S/c1-15-12-16(10-11-19(15)31-3)6-4-9-20-25-26-23(27(20)2)32-14-21(28)24-18-8-5-7-17(13-18)22(29)30/h5,7-8,10-13H,4,6,9,14H2,1-3H3,(H,24,28)(H,29,30)/p-1