1-methyl-N-[4-[(2-methyl-2-methylsulfonyl-propanoyl)amino]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]pyrazole-4-carboxamide; yttrium(3+)

Systemtic Name: 1-methyl-N-[4-[(2-methyl-2-methylsulfonyl-propanoyl)amino]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]pyrazole-4-carboxamide; yttrium(3+) Openeye Name: 1-methyl-N-[4-[(2-methyl-2-methylsulfonyl-propanoyl)amino]-6-oxo-cyclohexa-1,4-dien-1-yl]pyrazole-4-carboxamide; yttrium(3+) CAS Name: 1-methyl-N-[4-[(2-methyl-2-methylsulfonyl-1-oxopropyl)amino]-6-oxo-1-cyclohexa-1,4-dienyl]-4-pyrazolecarboxamide; yttrium(3+) IUPAC Name: 1-methyl-N-[4-[(2-methyl-2-methylsulfonylpropanoyl)amino]-6-oxocyclohexa-1,4-dien-1-yl]pyrazole-4-carboxamide; yttrium(3+) Traditional Name: N-[6-keto-4-[(2-mesyl-2-methyl-propanoyl)amino]cyclohexa-1,4-dien-1-yl]-1-methyl-pyrazole-4-carboxamide; yttrium(3+) Formula: C16H19N4O5SY+2 MolecularWeight: 468.31671

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC(=O)C(=C[CH-]1)NC(=O)C2=CN(N=C2)C)S(=O)(=O)C.[Y+3]

Isomeric SMILES

CC(C)(C(=O)NC1=CC(=O)C(=C[CH-]1)NC(=O)C2=CN(N=C2)C)S(=O)(=O)C.[Y+3]

InChI

InChI=1S/C16H19N4O5S.Y/c1-16(2,26(4,24)25)15(23)18-11-5-6-12(13(21)7-11)19-14(22)10-8-17-20(3)9-10;/h5-9H,1-4H3,(H,18,23)(H,19,22);/q-1;+3