N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-2-[4-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: N-(1,1-diketothiolan-3-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H21N3O3S/c25-21(23-18-10-13-28(26,27)15-18)20-5-2-1-4-19(20)17-8-6-16(7-9-17)14-24-12-3-11-22-24/h1-9,11-12,18H,10,13-15H2,(H,23,25)