N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]propanamide CAS Name: N-[sulfanylidene-[4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]anilino]methyl]propanamide IUPAC Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]thiocarbamoyl]propionamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)CC2=C(N(N=C2C)C)C

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)CC2=C(N(N=C2C)C)C

InChI

InChI=1S/C17H22N4OS/c1-5-16(22)19-17(23)18-14-8-6-13(7-9-14)10-15-11(2)20-21(4)12(15)3/h6-9H,5,10H2,1-4H3,(H2,18,19,22,23)