4-[[(2Z)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]but-2-ynyl 4-fluoranylbenzoate

Systemtic Name: 4-[[(2Z)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]but-2-ynyl 4-fluoranylbenzoate Openeye Name: 4-[[(2Z)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid 4-[[(2Z)-2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[(2Z)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid 4-[[(2Z)-2-indol-3-ylidene-3H-1,3,4-oxadiazol-5-yl]thio]but-2-ynyl ester Formula: C21H14FN3O3S MolecularWeight: 407.417563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)F)C=N2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/3\NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)F)/C=N2

InChI

InChI=1S/C21H14FN3O3S/c22-15-9-7-14(8-10-15)20(26)27-11-3-4-12-29-21-25-24-19(28-21)17-13-23-18-6-2-1-5-16(17)18/h1-2,5-10,13,24H,11-12H2/b19-17+