1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(4,7-phenanthrolin-5-yl)thiourea

Systemtic Name: 1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(4,7-phenanthrolin-5-yl)thiourea Openeye Name: 1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(4,7-phenanthrolin-5-yl)thiourea CAS Name: 1-(1-cyclohexa-1,5-dienyl)-1-(2-hydroxyethyl)-3-(4,7-phenanthrolin-5-yl)thiourea IUPAC Name: 1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(4,7-phenanthrolin-5-yl)thiourea Traditional Name: 1-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethyl)-3-(4,7-phenanthrolin-5-yl)thiourea Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)N(CCO)C(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

Isomeric SMILES

C1CC=C(C=C1)N(CCO)C(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

InChI

InChI=1S/C21H20N4OS/c26-13-12-25(15-6-2-1-3-7-15)21(27)24-19-14-18-16(8-4-10-22-18)17-9-5-11-23-20(17)19/h2,4-11,14,26H,1,3,12-13H2,(H,24,27)