N-(4-iodophenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-iodophenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-iodophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(4-iodophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-iodophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-iodophenyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C14H17IN4O2S MolecularWeight: 432.27985

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CCCN1C(=O)NN=C1SC(C)C(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C14H17IN4O2S/c1-3-8-19-13(21)17-18-14(19)22-9(2)12(20)16-11-6-4-10(15)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,20)(H,17,21)