N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)propanamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-methyl-3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)-N-methyl-propionamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=NNC(=S)NC4=O

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCC4=NNC(=S)NC4=O

InChI

InChI=1S/C23H22N6O2S/c1-28(20(30)13-12-19-22(31)24-23(32)26-25-19)14-17-15-29(18-10-6-3-7-11-18)27-21(17)16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H2,24,26,31,32)