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

Systemtic Name: ethyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2R)-2-[[4-ethyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]propionic acid ethyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SC(C)C(=O)OCC

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1S[C@H](C)C(=O)OCC

InChI

InChI=1S/C17H20N4O2S/c1-4-21-15(13-10-18-14-9-7-6-8-12(13)14)19-20-17(21)24-11(3)16(22)23-5-2/h6-11,19H,4-5H2,1-3H3/t11-/m1/s1