2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide CAS Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[(4-fluorophenyl)methyl]propanamide IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-fluorobenzyl)propionamide Formula: C18H21FN4OS MolecularWeight: 360.448943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NN=C(N2CC=C)C3CC3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NN=C(N2CC=C)C3CC3

InChI

InChI=1S/C18H21FN4OS/c1-3-10-23-16(14-6-7-14)21-22-18(23)25-12(2)17(24)20-11-13-4-8-15(19)9-5-13/h3-5,8-9,12,14H,1,6-7,10-11H2,2H3,(H,20,24)