[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylamino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-(2-thioxo-3-pyridylidene)methanolate Formula: C19H19N4OS- MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=C3C=CC=NC3=S)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=C3C=CC=NC3=S)[O-]

InChI

InChI=1S/C19H20N4OS/c1-13-17(11-21-18(24)16-9-6-10-20-19(16)25)14(2)23(22-13)12-15-7-4-3-5-8-15/h3-10,21,24H,11-12H2,1-2H3/p-1