3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-N-prop-2-enyl-propanamide

Systemtic Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide CAS Name: 3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]-N-prop-2-enylpropanamide IUPAC Name: 3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]propionamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CCSCC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3

Isomeric SMILES

C=CCNC(=O)CCSCC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-2-11-21-19(25)10-14-26-16-17-15-22-24(18-8-4-3-5-9-18)20(17)23-12-6-7-13-23/h2-9,12-13,15H,1,10-11,14,16H2,(H,21,25)