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

Systemtic Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: 1-isopropyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide CAS Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: 1-isopropyl-N-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3)C(C)C)S2)CC#C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3)C(C)C)S2)CC#C

InChI

InChI=1S/C18H18N4OS/c1-5-9-21-15-7-6-13(4)11-16(15)24-18(21)19-17(23)14-8-10-22(20-14)12(2)3/h1,6-8,10-12H,9H2,2-4H3