3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)propanamide

Systemtic Name: 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)propanamide Openeye Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)propanamide CAS Name: 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(4-iodophenyl)propanamide IUPAC Name: 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)propanamide Traditional Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-iodophenyl)propionamide Formula: C16H19IN4OS MolecularWeight: 442.31773

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C16H19IN4OS/c1-3-10-21-14(4-2)19-20-16(21)23-11-9-15(22)18-13-7-5-12(17)6-8-13/h3,5-8H,1,4,9-11H2,2H3,(H,18,22)