ethyl 2-[2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-phenyl-amino]ethanoate

Systemtic Name: ethyl 2-[2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-phenyl-amino]ethanoate Openeye Name: ethyl 2-(N-[2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]anilino)acetate CAS Name: 2-(N-[2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]anilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]anilino)acetate Traditional Name: 2-(N-[2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]anilino)acetic acid ethyl ester Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C25H29N5O3S/c1-2-33-23(32)17-29(20-9-5-3-6-10-20)22(31)18-34-25-28-27-24(19-13-15-26-16-14-19)30(25)21-11-7-4-8-12-21/h3,5-6,9-10,13-16,21H,2,4,7-8,11-12,17-18H2,1H3