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

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-methyl-pyrazole-3-carboxamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-methylpyrazole-3-carboxamide Traditional Name: N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-1-methyl-pyrazole-3-carboxamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4OS/c1-4-6-7-14-8-9-16-17(13-14)25-19(23(16)11-5-2)20-18(24)15-10-12-22(3)21-15/h2,8-10,12-13H,4,6-7,11H2,1,3H3