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

Systemtic Name: ethyl 1-[2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5

InChI

InChI=1S/C24H29N5O3S/c1-3-32-23(31)16-10-12-28(13-11-16)22(30)15(2)33-24-27-26-21(29(24)17-8-9-17)19-14-25-20-7-5-4-6-18(19)20/h4-7,14-17,26H,3,8-13H2,1-2H3/b21-19-