5-oxidanylidene-4-phenyl-2-(2-piperidin-1-ylethylsulfanyl)-4-thiophen-2-yl-1H-pyrrole-3-carbonitrile

Systemtic Name: 5-oxidanylidene-4-phenyl-2-(2-piperidin-1-ylethylsulfanyl)-4-thiophen-2-yl-1H-pyrrole-3-carbonitrile Openeye Name: 5-oxo-4-phenyl-2-[2-(1-piperidyl)ethylsulfanyl]-4-(2-thienyl)-1H-pyrrole-3-carbonitrile CAS Name: 5-oxo-4-phenyl-2-[2-(1-piperidinyl)ethylthio]-4-thiophen-2-yl-1H-pyrrole-3-carbonitrile IUPAC Name: 5-oxo-4-phenyl-2-(2-piperidin-1-ylethylsulfanyl)-4-thiophen-2-yl-1H-pyrrole-3-carbonitrile Traditional Name: 5-keto-4-phenyl-2-(2-piperidinoethylthio)-4-(2-thienyl)-2-pyrroline-3-carbonitrile Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=C(C(C(=O)N2)(C3=CC=CC=C3)C4=CC=CS4)C#N

Isomeric SMILES

C1CCN(CC1)CCSC2=C(C(C(=O)N2)(C3=CC=CC=C3)C4=CC=CS4)C#N

InChI

InChI=1S/C22H23N3OS2/c23-16-18-20(28-15-13-25-11-5-2-6-12-25)24-21(26)22(18,19-10-7-14-27-19)17-8-3-1-4-9-17/h1,3-4,7-10,14H,2,5-6,11-13,15H2,(H,24,26)