N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-4-imidazol-1-yl-N-methyl-benzamide

Systemtic Name: N-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyl]-4-imidazol-1-yl-N-methyl-benzamide Openeye Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-4-imidazol-1-yl-N-methyl-benzamide CAS Name: N-[[1-(1,1-dioxo-3-thiolanyl)-3,5-dimethyl-4-pyrazolyl]methyl]-4-(1-imidazolyl)-N-methylbenzamide IUPAC Name: N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-4-imidazol-1-yl-N-methylbenzamide Traditional Name: N-[[1-(1,1-diketothiolan-3-yl)-3,5-dimethyl-pyrazol-4-yl]methyl]-4-imidazol-1-yl-N-methyl-benzamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CN(C)C(=O)C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C21H25N5O3S/c1-15-20(16(2)26(23-15)19-8-11-30(28,29)13-19)12-24(3)21(27)17-4-6-18(7-5-17)25-10-9-22-14-25/h4-7,9-10,14,19H,8,11-13H2,1-3H3