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

Systemtic Name: ethyl 2-[4-cyclohexyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[(2-anilino-2-oxoethyl)thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-anilino-2-oxoethyl)sulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(2-anilino-2-keto-ethyl)thio]-4-cyclohexyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C2CCCCC2)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/c1-2-27-19(26)13-17-22-23-20(24(17)16-11-7-4-8-12-16)28-14-18(25)21-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,21,25)