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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-isopropyl-5-methyl-pyrazole-3-carboxamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-methyl-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-1-isopropyl-5-methyl-pyrazole-3-carboxamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

Isomeric SMILES

CC1=CC(=NN1C(C)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

InChI

InChI=1S/C18H17BrN4OS/c1-5-8-22-15-7-6-13(19)10-16(15)25-18(22)20-17(24)14-9-12(4)23(21-14)11(2)3/h1,6-7,9-11H,8H2,2-4H3