N-(3-iodanyl-4-methyl-phenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-iodo-4-methylphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-iodo-4-methylphenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H19IN4OS MolecularWeight: 478.34983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3)C)I

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3)C)I

InChI

InChI=1S/C19H19IN4OS/c1-12-3-6-14(7-4-12)18-22-23-19(26)24(18)10-9-17(25)21-15-8-5-13(2)16(20)11-15/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,23,26)