4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoic acid

Systemtic Name: 4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid CAS Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NCCCC(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC(=O)NCCCC(=O)O

InChI

InChI=1S/C17H20N4O3S/c22-14(18-10-4-7-15(23)24)11-25-17-19-16(12-8-9-12)21(20-17)13-5-2-1-3-6-13/h1-3,5-6,12H,4,7-11H2,(H,18,22)(H,23,24)