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

Systemtic Name: (phenylmethyl) 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-2-25-20(17-12-22-18-11-7-6-10-16(17)18)23-24-21(25)28-14-19(26)27-13-15-8-4-3-5-9-15/h3-12,23H,2,13-14H2,1H3