3-[3-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C18H17FN4O3S2 MolecularWeight: 420.480983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3)F

InChI

InChI=1S/C18H17FN4O3S2/c1-26-14-5-4-11(9-12(14)19)13(24)10-28-18-22-21-17(15-3-2-8-27-15)23(18)7-6-16(20)25/h2-5,8-9H,6-7,10H2,1H3,(H2,20,25)