methyl 2-[[5-azanyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-1,2,4-triazol-3-yl]sulfanyl]tetradecanoate

Systemtic Name: methyl 2-[[5-azanyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-1,2,4-triazol-3-yl]sulfanyl]tetradecanoate Openeye Name: methyl 2-[[5-amino-1-(3,3-dimethyl-2-oxo-butyl)-1,2,4-triazol-3-yl]sulfanyl]tetradecanoate CAS Name: 2-[[5-amino-1-(3,3-dimethyl-2-oxobutyl)-1,2,4-triazol-3-yl]thio]tetradecanoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-1-(3,3-dimethyl-2-oxobutyl)-1,2,4-triazol-3-yl]sulfanyl]tetradecanoate Traditional Name: 2-[[5-amino-1-(2-keto-3,3-dimethyl-butyl)-1,2,4-triazol-3-yl]thio]myristic acid methyl ester Formula: C23H42N4O3S MolecularWeight: 454.66958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)OC)SC1=NN(C(=N1)N)CC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)OC)SC1=NN(C(=N1)N)CC(=O)C(C)(C)C

InChI

InChI=1S/C23H42N4O3S/c1-6-7-8-9-10-11-12-13-14-15-16-18(20(29)30-5)31-22-25-21(24)27(26-22)17-19(28)23(2,3)4/h18H,6-17H2,1-5H3,(H2,24,25,26)