4-[[5-(1-methyl-3-morpholin-4-ylcarbothioyl-4-naphthalen-1-yl-pyrrol-2-yl)imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(1-methyl-3-morpholin-4-ylcarbothioyl-4-naphthalen-1-yl-pyrrol-2-yl)imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[1-methyl-3-(morpholine-4-carbothioyl)-4-(1-naphthyl)pyrrol-2-yl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[1-methyl-3-[4-morpholinyl(sulfanylidene)methyl]-4-(1-naphthalenyl)-2-pyrrolyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[1-methyl-3-(morpholine-4-carbothioyl)-4-naphthalen-1-ylpyrrol-2-yl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[1-methyl-3-(morpholine-4-carbothioyl)-4-(1-naphthyl)pyrrol-2-yl]imidazol-1-yl]methyl]benzonitrile Formula: C31H27N5OS MolecularWeight: 517.64398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C2=CN=CN2CC3=CC=C(C=C3)C#N)C(=S)N4CCOCC4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C=C(C(=C1C2=CN=CN2CC3=CC=C(C=C3)C#N)C(=S)N4CCOCC4)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H27N5OS/c1-34-20-27(26-8-4-6-24-5-2-3-7-25(24)26)29(31(38)35-13-15-37-16-14-35)30(34)28-18-33-21-36(28)19-23-11-9-22(17-32)10-12-23/h2-12,18,20-21H,13-16,19H2,1H3