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

Systemtic Name: ethyl 4-[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-ethyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C21H26N6O3S/c1-3-27-19(16-13-22-17-8-6-5-7-15(16)17)23-24-20(27)31-14-18(28)25-9-11-26(12-10-25)21(29)30-4-2/h5-8,13,23H,3-4,9-12,14H2,1-2H3