N-[(4-methoxyphenyl)methyl]-1,1-bis(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thiolan-3-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-1,1-bis(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thiolan-3-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolan-3-amine CAS Name: N-[(4-methoxyphenyl)methyl]-1,1-dioxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3-thiolanamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolan-3-amine Traditional Name: (1,1-diketothiolan-3-yl)-p-anisyl-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CN(N=C2)C3=CC=CC=C3)C4CCS(=O)(=O)C4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CN(N=C2)C3=CC=CC=C3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C22H25N3O3S/c1-28-22-9-7-18(8-10-22)14-24(21-11-12-29(26,27)17-21)15-19-13-23-25(16-19)20-5-3-2-4-6-20/h2-10,13,16,21H,11-12,14-15,17H2,1H3