N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-(3-allyl-6-butyl-1,3-benzothiazol-2-ylidene)-1-isopropyl-5-methyl-pyrazole-3-carboxamide CAS Name: N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-(3-allyl-6-butyl-1,3-benzothiazol-2-ylidene)-1-isopropyl-5-methyl-pyrazole-3-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C(=C3)C)C(C)C)S2)CC=C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C(=C3)C)C(C)C)S2)CC=C

InChI

InChI=1S/C22H28N4OS/c1-6-8-9-17-10-11-19-20(14-17)28-22(25(19)12-7-2)23-21(27)18-13-16(5)26(24-18)15(3)4/h7,10-11,13-15H,2,6,8-9,12H2,1,3-5H3