ethyl 2-[4-cyclopentyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-cyclopentyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyclopentyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-cyclopentyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyclopentyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-cyclopentyl-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C2CCCC2)CN3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C2CCCC2)CN3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N4O2S/c1-2-29-22(28)16-21-24-26(23(30)27(21)20-10-6-7-11-20)17-25-14-12-19(13-15-25)18-8-4-3-5-9-18/h3-5,8-9,12,20H,2,6-7,10-11,13-17H2,1H3