N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-1-[(2-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=CC=C1OCN2C=CC(=N2)C(=O)N[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H19N3O4S/c1-12-4-2-3-5-15(12)23-11-19-8-6-14(18-19)16(20)17-13-7-9-24(21,22)10-13/h2-6,8,13H,7,9-11H2,1H3,(H,17,20)/t13-/m0/s1