ethyl 2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 2-[[4-(4-fluorophenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: 2-[[4-(4-fluorophenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]-3-keto-butyric acid ethyl ester Formula: C22H19FN4O3S MolecularWeight: 438.474663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN4O3S/c1-3-30-21(29)19(13(2)28)31-22-26-25-20(27(22)15-10-8-14(23)9-11-15)17-12-24-18-7-5-4-6-16(17)18/h4-12,19,25H,3H2,1-2H3