N-(4-iodanyl-2-methyl-phenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[[5-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[(5-benzyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C18H17IN4OS MolecularWeight: 464.32325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)CSC2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H17IN4OS/c1-12-9-14(19)7-8-15(12)20-17(24)11-25-18-21-16(22-23-18)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,24)(H,21,22,23)