4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]benzamide

Systemtic Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]benzamide Openeye Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]benzamide CAS Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-[4-(methylthio)phenyl]methyl]-3-pyrrolidinyl]benzamide IUPAC Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]benzamide Traditional Name: 4-cyano-N-[(3R)-1-[(4-cyanophenyl)-[4-(methylthio)phenyl]methyl]pyrrolidin-3-yl]benzamide Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)N3CCC(C3)NC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C#N)N3CC[C@H](C3)NC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H24N4OS/c1-33-25-12-10-22(11-13-25)26(21-6-2-19(16-28)3-7-21)31-15-14-24(18-31)30-27(32)23-8-4-20(17-29)5-9-23/h2-13,24,26H,14-15,18H2,1H3,(H,30,32)/t24-,26?/m1/s1