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

Systemtic Name: N-methyl-3-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-6-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Openeye Name: N-methyl-3-(5-oxo-3-thioxo-2H-1,2,4-triazin-6-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide CAS Name: N-methyl-3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)-N-[(1-phenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: N-methyl-3-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(5-keto-3-thioxo-2H-1,2,4-triazin-6-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propionamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCC3=NNC(=S)NC3=O

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CCC3=NNC(=S)NC3=O

InChI

InChI=1S/C17H18N6O2S/c1-22(15(24)8-7-14-16(25)19-17(26)21-20-14)10-12-9-18-23(11-12)13-5-3-2-4-6-13/h2-6,9,11H,7-8,10H2,1H3,(H2,19,21,25,26)