4-[[2-[[3,5-bis(bromanyl)phenyl]methylsulfanyl]pyridin-3-yl]methyl]piperazine-1-carboximidamide

Systemtic Name: 4-[[2-[[3,5-bis(bromanyl)phenyl]methylsulfanyl]pyridin-3-yl]methyl]piperazine-1-carboximidamide Openeye Name: 4-[[2-[(3,5-dibromophenyl)methylsulfanyl]-3-pyridyl]methyl]piperazine-1-carboxamidine CAS Name: 4-[[2-[(3,5-dibromophenyl)methylthio]-3-pyridinyl]methyl]-1-piperazinecarboximidamide IUPAC Name: 4-[[2-[(3,5-dibromophenyl)methylsulfanyl]pyridin-3-yl]methyl]piperazine-1-carboximidamide Traditional Name: 4-[[2-[(3,5-dibromobenzyl)thio]-3-pyridyl]methyl]piperazine-1-carboxamidine Formula: C18H21Br2N5S MolecularWeight: 499.26584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(N=CC=C2)SCC3=CC(=CC(=C3)Br)Br)C(=N)N

Isomeric SMILES

C1CN(CCN1CC2=C(N=CC=C2)SCC3=CC(=CC(=C3)Br)Br)C(=N)N

InChI

InChI=1S/C18H21Br2N5S/c19-15-8-13(9-16(20)10-15)12-26-17-14(2-1-3-23-17)11-24-4-6-25(7-5-24)18(21)22/h1-3,8-10H,4-7,11-12H2,(H3,21,22)