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

Systemtic Name: (E)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-3-(4-methylsulfanylphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylsulfanylphenyl)prop-2-enenitrile CAS Name: (E)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-[4-(methylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-(4-methylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(methylthio)phenyl]acrylonitrile Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(=CC3=CC=C(C=C3)SC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)/C(=C/C3=CC=C(C=C3)SC)/C#N

InChI

InChI=1S/C22H23N3O2S/c1-27-20-7-5-19(6-8-20)24-11-13-25(14-12-24)22(26)18(16-23)15-17-3-9-21(28-2)10-4-17/h3-10,15H,11-14H2,1-2H3/b18-15+