3-(2-phenylethenylsulfonyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]propanamide

Systemtic Name: 3-(2-phenylethenylsulfonyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]propanamide Openeye Name: N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]-3-styrylsulfonyl-propanamide CAS Name: 3-(2-phenylethenylsulfonyl)-N-[1-[(phenylthio)methyl]-4-pyrazolyl]propanamide IUPAC Name: 3-(2-phenylethenylsulfonyl)-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]propanamide Traditional Name: N-[1-[(phenylthio)methyl]pyrazol-4-yl]-3-styrylsulfonyl-propionamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CS(=O)(=O)CCC(=O)NC2=CN(N=C2)CSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C=CS(=O)(=O)CCC(=O)NC2=CN(N=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S2/c25-21(12-14-29(26,27)13-11-18-7-3-1-4-8-18)23-19-15-22-24(16-19)17-28-20-9-5-2-6-10-20/h1-11,13,15-16H,12,14,17H2,(H,23,25)