2-[(4-azanyl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-iodophenyl)propanamide

Systemtic Name: 2-[(4-azanyl-1,3,5-triazin-2-yl)sulfanyl]-N-(4-iodophenyl)propanamide Openeye Name: 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-iodophenyl)propanamide CAS Name: 2-[(4-amino-1,3,5-triazin-2-yl)thio]-N-(4-iodophenyl)propanamide IUPAC Name: 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-N-(4-iodophenyl)propanamide Traditional Name: 2-[(4-amino-s-triazin-2-yl)thio]-N-(4-iodophenyl)propionamide Formula: C12H12IN5OS MolecularWeight: 401.22605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)I)SC2=NC=NC(=N2)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)I)SC2=NC=NC(=N2)N

InChI

InChI=1S/C12H12IN5OS/c1-7(20-12-16-6-15-11(14)18-12)10(19)17-9-4-2-8(13)3-5-9/h2-7H,1H3,(H,17,19)(H2,14,15,16,18)