N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine; 1-oxidanidylpyridine-2-thione

Systemtic Name: N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine; 1-oxidanidylpyridine-2-thione Openeye Name: N-octyl-1-[10-(4-octylimino-1-pyridyl)decyl]pyridin-4-imine; 1-oxidopyridine-2-thione CAS Name: N-octyl-1-[10-(4-octylimino-1-pyridinyl)decyl]-4-pyridinimine; 1-oxido-2-pyridinethione IUPAC Name: N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine; 1-oxidopyridine-2-thione Traditional Name: octyl-[1-[10-(4-octylimino-1-pyridyl)decyl]-4-pyridylidene]amine; 1-oxidopyridine-2-thione Formula: C82H132N10O2S2-2 MolecularWeight: 1354.12128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-]

Isomeric SMILES

CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.C1=CC(=S)N(C=C1)[O-].C1=CC(=S)N(C=C1)[O-]

InChI

InChI=1S/2C36H62N4.2C5H4NOS/c2*1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;2*7-6-4-2-1-3-5(6)8/h2*23-26,31-34H,3-22,27-30H2,1-2H3;2*1-4H/q;;2*-1