(E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(4-methylsulfanylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-3-(4-methylsulfanylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methylsulfanylphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-3-[4-(methylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-(4-methylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3-[4-(methylthio)phenyl]acrylonitrile Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H20FN3OS/c1-27-18-8-6-16(7-9-18)14-17(15-23)21(26)25-12-10-24(11-13-25)20-5-3-2-4-19(20)22/h2-9,14H,10-13H2,1H3/b17-14+