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

Systemtic Name: N-(4-iodophenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-iodophenyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-iodophenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-iodophenyl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-iodophenyl)-2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H17IN4OS MolecularWeight: 464.32325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)NC3=CC=C(C=C3)I

InChI

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