(E)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(1,3-diphenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide

Systemtic Name: (E)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(1,3-diphenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: (E)-N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)-N-(2-thienylmethyl)prop-2-enamide CAS Name: (E)-N-(1,1-dioxo-3-thiolanyl)-3-(1,3-diphenyl-4-pyrazolyl)-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: (E)-N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: (E)-N-(1,1-diketothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)-N-(2-thenyl)acrylamide Formula: C27H25N3O3S2 MolecularWeight: 503.6357

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CS(=O)(=O)CC1N(CC2=CC=CS2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3S2/c31-26(29(19-25-12-7-16-34-25)24-15-17-35(32,33)20-24)14-13-22-18-30(23-10-5-2-6-11-23)28-27(22)21-8-3-1-4-9-21/h1-14,16,18,24H,15,17,19-20H2/b14-13+