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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)propanamide Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)propanamide CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-iodophenyl)propanamide IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)propanamide Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-iodophenyl)propionamide Formula: C17H19IN4OS MolecularWeight: 454.32843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)I)SC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)I)SC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C17H19IN4OS/c1-10(16(23)19-13-6-4-12(18)5-7-13)24-17-21-20-15(11-2-3-11)22(17)14-8-9-14/h4-7,10-11,14H,2-3,8-9H2,1H3,(H,19,23)