S-morpholin-4-yl 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrole-3-carbothioate

Systemtic Name: S-morpholin-4-yl 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrole-3-carbothioate Openeye Name: S-morpholino 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-(1-naphthyl)pyrrole-3-carbothioate CAS Name: 1-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methyl]-4-(1-naphthalenyl)-3-pyrrolecarbothioic acid S-(4-morpholinyl) ester IUPAC Name: S-morpholin-4-yl 1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrole-3-carbothioate Traditional Name: 1-[[3-(4-cyanobenzyl)imidazol-4-yl]methyl]-4-(1-naphthyl)pyrrole-3-carbothioic acid S-morpholino ester Formula: C31H27N5O2S MolecularWeight: 533.64338

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1SC(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC=C(C=C6)C#N

Isomeric SMILES

C1COCCN1SC(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC=C(C=C6)C#N

InChI

InChI=1S/C31H27N5O2S/c32-16-23-8-10-24(11-9-23)18-35-22-33-17-26(35)19-34-20-29(28-7-3-5-25-4-1-2-6-27(25)28)30(21-34)31(37)39-36-12-14-38-15-13-36/h1-11,17,20-22H,12-15,18-19H2