2-[(4Z)-1-cyclopropyl-4-[(1,3-dimethylpyrazol-4-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[(4Z)-1-cyclopropyl-4-[(1,3-dimethylpyrazol-4-yl)methylidene]-5-oxidanylidene-imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(4Z)-1-cyclopropyl-4-[(1,3-dimethylpyrazol-4-yl)methylene]-5-oxo-imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[(4Z)-1-cyclopropyl-4-[(1,3-dimethyl-4-pyrazolyl)methylidene]-5-oxo-2-imidazolyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(4Z)-1-cyclopropyl-4-[(1,3-dimethylpyrazol-4-yl)methylidene]-5-oxoimidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[(4Z)-1-cyclopropyl-4-[(1,3-dimethylpyrazol-4-yl)methylene]-5-keto-2-imidazolin-2-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=C2C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4CC4)C

Isomeric SMILES

CC1=NN(C=C1/C=C\2/C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C4CC4)C

InChI

InChI=1S/C20H20N6O4S/c1-12-13(10-24(2)23-12)8-17-19(28)25(15-6-7-15)20(22-17)31-11-18(27)21-14-4-3-5-16(9-14)26(29)30/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,21,27)/b17-8-