ethyl 2-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[(2-amino-2-oxoethyl)thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-amino-2-oxoethyl)sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(2-amino-2-keto-ethyl)thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C14H22N4O3S MolecularWeight: 326.41448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)N

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)N

InChI

InChI=1S/C14H22N4O3S/c1-2-21-13(20)8-12-16-17-14(22-9-11(15)19)18(12)10-6-4-3-5-7-10/h10H,2-9H2,1H3,(H2,15,19)