N-(4-iodanyl-2-methyl-phenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: N-(4-iodo-2-methylphenyl)-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(4-iodo-2-methylphenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-3-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C18H17IN4OS MolecularWeight: 464.32325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2=CC(=CC=C2)CSC3=NN=CN3C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2=CC(=CC=C2)CSC3=NN=CN3C

InChI

InChI=1S/C18H17IN4OS/c1-12-8-15(19)6-7-16(12)21-17(24)14-5-3-4-13(9-14)10-25-18-22-20-11-23(18)2/h3-9,11H,10H2,1-2H3,(H,21,24)