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

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-isopropyl-pyrazole-3-carboxamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-1-isopropyl-pyrazole-3-carboxamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-5-7-8-16-9-10-18-19(14-16)27-21(24(18)12-6-2)22-20(26)17-11-13-25(23-17)15(3)4/h2,9-11,13-15H,5,7-8,12H2,1,3-4H3