3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoate

Systemtic Name: 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoate Openeye Name: 3-[butyl-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate CAS Name: 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoate IUPAC Name: 3-[butyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanoate Traditional Name: 3-[butyl-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]amino]propionate Formula: C17H22N3O2S- MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCC(=O)[O-])C1=NC(=NS1)CC2=CC=C(C=C2)C

Isomeric SMILES

CCCCN(CCC(=O)[O-])C1=NC(=NS1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C17H23N3O2S/c1-3-4-10-20(11-9-16(21)22)17-18-15(19-23-17)12-14-7-5-13(2)6-8-14/h5-8H,3-4,9-12H2,1-2H3,(H,21,22)/p-1