S-[4-(4-cyano-5-methylsulfanyl-3-phenyl-thiophen-2-yl)pyrimidin-2-yl] 2-phenylazanylethanethioate

Systemtic Name: S-[4-(4-cyano-5-methylsulfanyl-3-phenyl-thiophen-2-yl)pyrimidin-2-yl] 2-phenylazanylethanethioate Openeye Name: S-[4-(4-cyano-5-methylsulfanyl-3-phenyl-2-thienyl)pyrimidin-2-yl] 2-anilinoethanethioate CAS Name: 2-anilinoethanethioic acid S-[4-[4-cyano-5-(methylthio)-3-phenyl-2-thiophenyl]-2-pyrimidinyl] ester IUPAC Name: S-[4-(4-cyano-5-methylsulfanyl-3-phenylthiophen-2-yl)pyrimidin-2-yl] 2-anilinoethanethioate Traditional Name: 2-anilinoethanethioic acid S-[4-[4-cyano-5-(methylthio)-3-phenyl-2-thienyl]pyrimidin-2-yl] ester Formula: C24H18N4OS3 MolecularWeight: 474.62092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=NC(=NC=C2)SC(=O)CNC3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=NC(=NC=C2)SC(=O)CNC3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H18N4OS3/c1-30-23-18(14-25)21(16-8-4-2-5-9-16)22(32-23)19-12-13-26-24(28-19)31-20(29)15-27-17-10-6-3-7-11-17/h2-13,27H,15H2,1H3