3-azanyl-N-[[1-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[[1-[(E)-1-methylsulfanyl-2-nitro-ethenyl]-4-phenyl-piperidin-4-yl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[1-[(E)-1-methylsulfanyl-2-nitro-vinyl]-4-phenyl-4-piperidyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[1-[(E)-1-(methylthio)-2-nitroethenyl]-4-phenyl-4-piperidinyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[1-[(E)-1-methylsulfanyl-2-nitroethenyl]-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[[1-[(E)-1-(methylthio)-2-nitro-vinyl]-4-phenyl-4-piperidyl]methyl]pyrazinamide Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C[N+](=O)[O-])N1CCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3

Isomeric SMILES

CS/C(=C/[N+](=O)[O-])/N1CCC(CC1)(CNC(=O)C2=NC=CN=C2N)C3=CC=CC=C3

InChI

InChI=1S/C20H24N6O3S/c1-30-16(13-26(28)29)25-11-7-20(8-12-25,15-5-3-2-4-6-15)14-24-19(27)17-18(21)23-10-9-22-17/h2-6,9-10,13H,7-8,11-12,14H2,1H3,(H2,21,23)(H,24,27)/b16-13+