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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)propanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)propanamide CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(4-iodophenyl)propanamide IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)propanamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)propionamide Formula: C18H17IN4OS2 MolecularWeight: 496.38825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)I)SC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)I)SC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C18H17IN4OS2/c1-11(17(24)20-13-6-4-12(19)5-7-13)26-18-22-21-16(15-3-2-10-25-15)23(18)14-8-9-14/h2-7,10-11,14H,8-9H2,1H3,(H,20,24)