[1-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrol-3-yl]-morpholin-4-yl-methanethione

Systemtic Name: [1-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-yl-pyrrol-3-yl]-morpholin-4-yl-methanethione Openeye Name: [1-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-4-(1-naphthyl)pyrrol-3-yl]-morpholino-methanethione CAS Name: [1-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-4-(1-naphthalenyl)-3-pyrrolyl]-(4-morpholinyl)methanethione IUPAC Name: [1-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-morpholin-4-ylmethanethione Traditional Name: [1-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]-4-(1-naphthyl)pyrrol-3-yl]-morpholino-methanethione Formula: C31H27N5OS MolecularWeight: 517.64398

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3C=C(C(=C3)C(=S)N4CCOCC4)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3C=C(C(=C3)C(=S)N4CCOCC4)C5=CC=CC6=CC=CC=C65

InChI

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