2-[[5-(2-azanylethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(2-azanylethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(2-aminoethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)CCN

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)O)CCN

InChI

InChI=1S/C14H18N4O2S/c15-8-6-12-16-17-14(21-10-13(19)20)18(12)9-7-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H,19,20)