methyl 3-[[5-(1-azanylpropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 3-[[5-(1-azanylpropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 3-[[5-(1-aminopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(1-aminopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[[5-(1-aminopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(1-aminopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C10H18N4O2S MolecularWeight: 258.34052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1C)SCCC(=O)OC)N

Isomeric SMILES

CCC(C1=NN=C(N1C)SCCC(=O)OC)N

InChI

InChI=1S/C10H18N4O2S/c1-4-7(11)9-12-13-10(14(9)2)17-6-5-8(15)16-3/h7H,4-6,11H2,1-3H3