4-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]-methyl-amino]butyric acid Formula: C12H18N4O3S MolecularWeight: 298.36132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSC1=NN=CN1C2CC2

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSC1=NN=CN1C2CC2

InChI

InChI=1S/C12H18N4O3S/c1-15(6-2-3-11(18)19)10(17)7-20-12-14-13-8-16(12)9-4-5-9/h8-9H,2-7H2,1H3,(H,18,19)