ethyl 1-(1,3-benzothiazol-2-yl)-5-[(E)-dimethylaminomethylideneamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(E)-dimethylaminomethylideneamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(E)-dimethylaminomethyleneamino]pyrazole-4-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-[(E)-dimethylaminomethylideneamino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzothiazol-2-yl)-5-[(E)-dimethylaminomethylideneamino]pyrazole-4-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-[(E)-dimethylaminomethyleneamino]pyrazole-4-carboxylic acid ethyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)N=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3S2)/N=C/N(C)C

InChI

InChI=1S/C16H17N5O2S/c1-4-23-15(22)11-9-18-21(14(11)17-10-20(2)3)16-19-12-7-5-6-8-13(12)24-16/h5-10H,4H2,1-3H3/b17-10+