6-(4-bromanylthiophen-2-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide

Systemtic Name: 6-(4-bromanylthiophen-2-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Openeye Name: 6-(4-bromo-2-thienyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine CAS Name: 6-(4-bromo-2-thiophenyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide IUPAC Name: 6-(4-bromothiophen-2-yl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboximidamide Traditional Name: 6-(4-bromo-2-thienyl)-5,6,6a,7,8,12b-hexahydrobenzo[k]phenanthridine-2-carboxamidine Formula: C22H20BrN3S MolecularWeight: 438.3833

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3C1C(NC4=C3C=C(C=C4)C(=N)N)C5=CC(=CS5)Br

Isomeric SMILES

C1CC2=CC=CC=C2C3C1C(NC4=C3C=C(C=C4)C(=N)N)C5=CC(=CS5)Br

InChI

InChI=1S/C22H20BrN3S/c23-14-10-19(27-11-14)21-16-7-5-12-3-1-2-4-15(12)20(16)17-9-13(22(24)25)6-8-18(17)26-21/h1-4,6,8-11,16,20-21,26H,5,7H2,(H3,24,25)