N-(4-iodophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-iodophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: N-(4-iodophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-iodophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(4-iodophenyl)acetamide Formula: C14H15IN4OS MolecularWeight: 414.26457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C14H15IN4OS/c1-3-8-19-10(2)17-18-14(19)21-9-13(20)16-12-6-4-11(15)5-7-12/h3-7H,1,8-9H2,2H3,(H,16,20)