2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-butanamide Openeye Name: 2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)butanamide CAS Name: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)butanamide IUPAC Name: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylbutanamide Traditional Name: 2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)butyramide Formula: C25H23FN4OS MolecularWeight: 446.539723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC=C)C4=CC=C(C=C4)F

Isomeric SMILES

CCC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NN=C(N3CC=C)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN4OS/c1-3-16-30-23(18-12-14-19(26)15-13-18)28-29-25(30)32-22(4-2)24(31)27-21-11-7-9-17-8-5-6-10-20(17)21/h3,5-15,22H,1,4,16H2,2H3,(H,27,31)