azepan-1-yl-[1-methyl-5,5-bis(oxidanylidene)-4H-thiochromeno[4,3-c]pyrazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[1-methyl-5,5-bis(oxidanylidene)-4H-thiochromeno[4,3-c]pyrazol-3-yl]methanone Openeye Name: azepan-1-yl-(1-methyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazol-3-yl)methanone CAS Name: 1-azepanyl-(1-methyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazol-3-yl)methanone IUPAC Name: azepan-1-yl-(1-methyl-5,5-dioxo-4H-thiochromeno[4,3-c]pyrazol-3-yl)methanone Traditional Name: azepan-1-yl-(5,5-diketo-1-methyl-4H-thiochromeno[4,3-c]pyrazol-3-yl)methanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CS(=O)(=O)C3=CC=CC=C32)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(CS(=O)(=O)C3=CC=CC=C32)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C18H21N3O3S/c1-20-17-13-8-4-5-9-15(13)25(23,24)12-14(17)16(19-20)18(22)21-10-6-2-3-7-11-21/h4-5,8-9H,2-3,6-7,10-12H2,1H3