ethyl 1-[2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C26H27N5O3S MolecularWeight: 489.58928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O3S/c1-2-34-25(33)18-12-14-30(15-13-18)23(32)17-35-26-29-28-24(31(26)19-8-4-3-5-9-19)21-16-27-22-11-7-6-10-20(21)22/h3-11,16,18,28H,2,12-15,17H2,1H3/b24-21-