ethyl (2R)-2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: ethyl (2R)-2-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl (2R)-2-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(N1C)CCC(=O)N

Isomeric SMILES

CC[C@H](C(=O)OCC)SC1=NN=C(N1C)CCC(=O)N

InChI

InChI=1S/C12H20N4O3S/c1-4-8(11(18)19-5-2)20-12-15-14-10(16(12)3)7-6-9(13)17/h8H,4-7H2,1-3H3,(H2,13,17)/t8-/m1/s1