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

Systemtic Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-chloranyl-3-nitro-benzamide Openeye Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-chloro-3-nitro-benzamide CAS Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-chloro-3-nitrobenzamide IUPAC Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-chloro-3-nitrobenzamide Traditional Name: N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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