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

Systemtic Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H24N6O2S/c1-27(15-17-14-24-29(16-17)19-6-4-3-5-7-19)21(30)12-13-28-22(25-26-23(28)32)18-8-10-20(31-2)11-9-18/h3-11,14,16H,12-13,15H2,1-2H3,(H,26,32)