N-butyl-3-[2-(4-fluorophenyl)-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]sulfanyl-propanamide

Systemtic Name: N-butyl-3-[2-(4-fluorophenyl)-2-oxidanyl-3-(1,2,4-triazol-1-yl)propyl]sulfanyl-propanamide Openeye Name: N-butyl-3-[2-(4-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]sulfanyl-propanamide CAS Name: N-butyl-3-[[2-(4-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]thio]propanamide IUPAC Name: N-butyl-3-[2-(4-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]sulfanylpropanamide Traditional Name: N-butyl-3-[[2-(4-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]thio]propionamide Formula: C18H25FN4O2S MolecularWeight: 380.480103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCSCC(CN1C=NC=N1)(C2=CC=C(C=C2)F)O

Isomeric SMILES

CCCCNC(=O)CCSCC(CN1C=NC=N1)(C2=CC=C(C=C2)F)O

InChI

InChI=1S/C18H25FN4O2S/c1-2-3-9-21-17(24)8-10-26-12-18(25,11-23-14-20-13-22-23)15-4-6-16(19)7-5-15/h4-7,13-14,25H,2-3,8-12H2,1H3,(H,21,24)