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

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-iodo-4-methylphenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-iodo-4-methylphenyl)-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H19IN4O2S MolecularWeight: 494.34923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=C(C=C3)OC)I

InChI

InChI=1S/C19H19IN4O2S/c1-12-3-6-14(11-16(12)20)21-17(25)9-10-24-18(22-23-19(24)27)13-4-7-15(26-2)8-5-13/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,23,27)