1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Openeye Name: 1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide CAS Name: 1-(1,4-dithiepan-6-yl)-N-[3-(1-pyrazolyl)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Traditional Name: 1-(1,4-dithiepan-6-yl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide Formula: C19H24N4OS2 MolecularWeight: 388.55006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2CSCCSC2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1CC(N(C1)C2CSCCSC2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C19H24N4OS2/c24-19(18-6-2-8-22(18)17-13-25-10-11-26-14-17)21-15-4-1-5-16(12-15)23-9-3-7-20-23/h1,3-5,7,9,12,17-18H,2,6,8,10-11,13-14H2,(H,21,24)