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

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]ethyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCOC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCOC(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O2S/c27-21(15-6-2-1-3-7-15)28-12-13-29-22-25-24-20(26(22)16-10-11-16)18-14-23-19-9-5-4-8-17(18)19/h1-9,14,16,24H,10-13H2