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

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: 1-isopropyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: 1-isopropyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CC(C)N1C=CC(=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C17H15N5O3S/c1-4-8-20-14-6-5-12(22(24)25)10-15(14)26-17(20)18-16(23)13-7-9-21(19-13)11(2)3/h1,5-7,9-11H,8H2,2-3H3