2-[[4-azanyl-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide Formula: C19H20IN5OS MolecularWeight: 493.36447

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)I)C3=CC=CC=C3

Isomeric SMILES

CC(CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)I)C3=CC=CC=C3

InChI

InChI=1S/C19H20IN5OS/c1-13(14-5-3-2-4-6-14)11-17-23-24-19(25(17)21)27-12-18(26)22-16-9-7-15(20)8-10-16/h2-10,13H,11-12,21H2,1H3,(H,22,26)