N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloranyl-5-nitro-benzamide Openeye Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-5-nitro-benzamide CAS Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-5-nitrobenzamide IUPAC Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-5-nitrobenzamide Traditional Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-chloro-5-nitro-benzamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C2CSCC2=N1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)N1C(=C2CSCC2=N1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O3S/c1-16(2,3)20-14(11-7-25-8-13(11)19-20)18-15(22)10-6-9(21(23)24)4-5-12(10)17/h4-6H,7-8H2,1-3H3,(H,18,22)