3-(4-methylsulfanylphenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: 3-(4-methylsulfanylphenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 3-(4-methylsulfanylphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[4-(methylthio)phenyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: 3-(4-methylsulfanylphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[4-(methylthio)phenyl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C21H21N3OS MolecularWeight: 363.47594

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-26-20-9-7-17(8-10-20)15-18(16-22)21(25)24-13-11-23(12-14-24)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3