2-[4-[4-[4-(diethylamino)phenyl]imino-3-heptadecyl-5-oxidanylidene-pyrazol-1-yl]phenyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[4-[4-[4-(diethylamino)phenyl]imino-3-heptadecyl-5-oxidanylidene-pyrazol-1-yl]phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[4-[4-[4-(diethylamino)phenyl]imino-3-heptadecyl-5-oxo-pyrazol-1-yl]phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[4-[4-[4-(diethylamino)phenyl]imino-3-heptadecyl-5-oxo-1-pyrazolyl]phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-[4-[4-(diethylamino)phenyl]imino-3-heptadecyl-5-oxopyrazol-1-yl]phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[4-[4-[4-(diethylamino)phenyl]imino-3-heptadecyl-5-keto-2-pyrazolin-1-yl]phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C43H58N6O4S MolecularWeight: 755.02342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1=NC2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1=NC2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C43H58N6O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-41(44-34-24-28-35(29-25-34)48(5-2)6-3)43(50)49(47-39)36-26-22-33(23-27-36)42-45-38-31-30-37(54(51,52)53)32-40(38)46-42/h22-32H,4-21H2,1-3H3,(H,45,46)(H,51,52,53)