N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1,4-dimethylpyrazole-3-carboxamide Traditional Name: N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-1,4-dimethyl-pyrazole-3-carboxamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3C)C)S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3C)C)S2)CC#C

InChI

InChI=1S/C20H22N4OS/c1-5-7-8-15-9-10-16-17(12-15)26-20(24(16)11-6-2)21-19(25)18-14(3)13-23(4)22-18/h2,9-10,12-13H,5,7-8,11H2,1,3-4H3