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

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-methylsulfanylphenyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-[4-(methylthio)phenyl]-2-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-[4-(methylthio)phenyl]-2-[4-(4-nitrophenyl)piperazine-1-carbonyl]acrylonitrile Formula: C21H20N4O3S MolecularWeight: 408.4735

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S/c1-29-20-8-2-16(3-9-20)14-17(15-22)21(26)24-12-10-23(11-13-24)18-4-6-19(7-5-18)25(27)28/h2-9,14H,10-13H2,1H3/b17-14+