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

Systemtic Name: ethyl 5-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[4-hexyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)C4=C(C(=C(N4)C)C(=O)OCC)C

Isomeric SMILES

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)C4=C(C(=C(N4)C)C(=O)OCC)C

InChI

InChI=1S/C27H33N5O3S/c1-5-7-8-11-14-32-25(20-15-28-21-13-10-9-12-19(20)21)30-31-27(32)36-16-22(33)24-17(3)23(18(4)29-24)26(34)35-6-2/h9-10,12-13,15,29-30H,5-8,11,14,16H2,1-4H3