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

Systemtic Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]-N-(2-thienylmethyl)propanamide CAS Name: 3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]-N-(2-thenyl)propionamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CSCCC(=O)NCC3=CC=CS3)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CSCCC(=O)NCC3=CC=CS3)N4C=CC=C4

InChI

InChI=1S/C22H22N4OS2/c27-21(23-16-20-9-6-13-29-20)10-14-28-17-18-15-24-26(19-7-2-1-3-8-19)22(18)25-11-4-5-12-25/h1-9,11-13,15H,10,14,16-17H2,(H,23,27)