N,N-dimethyl-2-(4-methyl-3-phenyl-pyrazol-1-yl)hexanethioamide

Systemtic Name: N,N-dimethyl-2-(4-methyl-3-phenyl-pyrazol-1-yl)hexanethioamide Openeye Name: N,N-dimethyl-2-(4-methyl-3-phenyl-pyrazol-1-yl)hexanethioamide CAS Name: N,N-dimethyl-2-(4-methyl-3-phenyl-1-pyrazolyl)hexanethioamide IUPAC Name: N,N-dimethyl-2-(4-methyl-3-phenylpyrazol-1-yl)hexanethioamide Traditional Name: N,N-dimethyl-2-(4-methyl-3-phenyl-pyrazol-1-yl)hexanethioamide Formula: C18H25N3S MolecularWeight: 315.4762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=S)N(C)C)N1C=C(C(=N1)C2=CC=CC=C2)C

Isomeric SMILES

CCCCC(C(=S)N(C)C)N1C=C(C(=N1)C2=CC=CC=C2)C

InChI

InChI=1S/C18H25N3S/c1-5-6-12-16(18(22)20(3)4)21-13-14(2)17(19-21)15-10-8-7-9-11-15/h7-11,13,16H,5-6,12H2,1-4H3