N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-methyl-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: 1-isopropyl-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-methyl-pyrazole-3-carboxamide CAS Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-methyl-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: 1-isopropyl-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-5-methyl-pyrazole-3-carboxamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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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)[N+](=O)[O-])CCOC

Isomeric SMILES

CC1=CC(=NN1C(C)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCOC

InChI

InChI=1S/C18H21N5O4S/c1-11(2)22-12(3)9-14(20-22)17(24)19-18-21(7-8-27-4)15-6-5-13(23(25)26)10-16(15)28-18/h5-6,9-11H,7-8H2,1-4H3