ethyl 2-[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[4-ethyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)NC4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)NC4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C23H23N5O3S/c1-3-28-21(17-13-24-18-11-7-5-9-15(17)18)26-27-23(28)32-14-20(29)25-19-12-8-6-10-16(19)22(30)31-4-2/h5-13,26H,3-4,14H2,1-2H3,(H,25,29)