1-[4-(4-tert-butylphenyl)-4-phenylsulfanyl-butyl]imidazole nitrate

Systemtic Name: 1-[4-(4-tert-butylphenyl)-4-phenylsulfanyl-butyl]imidazole nitrate Openeye Name: 1-[4-(4-tert-butylphenyl)-4-phenylsulfanyl-butyl]imidazole nitrate CAS Name: 1-[4-(4-tert-butylphenyl)-4-(phenylthio)butyl]imidazole nitrate IUPAC Name: 1-[4-(4-tert-butylphenyl)-4-phenylsulfanylbutyl]imidazole nitrate Traditional Name: 1-[4-(4-tert-butylphenyl)-4-(phenylthio)butyl]imidazole nitrate Formula: C23H28N3O3S- MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CCCN2C=CN=C2)SC3=CC=CC=C3.[N+](=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(CCCN2C=CN=C2)SC3=CC=CC=C3.[N+](=O)([O-])[O-]

InChI

InChI=1S/C23H28N2S.NO3/c1-23(2,3)20-13-11-19(12-14-20)22(26-21-8-5-4-6-9-21)10-7-16-25-17-15-24-18-25;2-1(3)4/h4-6,8-9,11-15,17-18,22H,7,10,16H2,1-3H3;/q;-1