azepan-1-yl-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-pyrazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-pyrazol-3-yl]methanone Openeye Name: azepan-1-yl-[5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]methanone CAS Name: 1-azepanyl-[5-cyclopropyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]methanone Traditional Name: azepan-1-yl-[5-cyclopropyl-1-[(3S)-1,1-diketothiolan-3-yl]pyrazol-3-yl]methanone Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN(C(=C2)C3CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN(C(=C2)C3CC3)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C17H25N3O3S/c21-17(19-8-3-1-2-4-9-19)15-11-16(13-5-6-13)20(18-15)14-7-10-24(22,23)12-14/h11,13-14H,1-10,12H2/t14-/m0/s1