2-tert-butyl-5-cyclopropyl-N-[3-(1,3-dithian-2-yl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-tert-butyl-5-cyclopropyl-N-[3-(1,3-dithian-2-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-tert-butyl-5-cyclopropyl-N-[3-(1,3-dithian-2-yl)phenyl]pyrazole-3-carboxamide CAS Name: 2-tert-butyl-5-cyclopropyl-N-[3-(1,3-dithian-2-yl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-tert-butyl-5-cyclopropyl-N-[3-(1,3-dithian-2-yl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-tert-butyl-5-cyclopropyl-N-[3-(1,3-dithian-2-yl)phenyl]pyrazole-3-carboxamide Formula: C21H27N3OS2 MolecularWeight: 401.58858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C21H27N3OS2/c1-21(2,3)24-18(13-17(23-24)14-8-9-14)19(25)22-16-7-4-6-15(12-16)20-26-10-5-11-27-20/h4,6-7,12-14,20H,5,8-11H2,1-3H3,(H,22,25)