1-[1H-imidazol-2-yl-(4-methylsulfanylphenyl)methyl]isoquinoline; nitric acid

Systemtic Name: 1-[1H-imidazol-2-yl-(4-methylsulfanylphenyl)methyl]isoquinoline; nitric acid Openeye Name: 1-[1H-imidazol-2-yl-(4-methylsulfanylphenyl)methyl]isoquinoline; nitric acid CAS Name: 1-[1H-imidazol-2-yl-[4-(methylthio)phenyl]methyl]isoquinoline; nitric acid IUPAC Name: 1-[1H-imidazol-2-yl-(4-methylsulfanylphenyl)methyl]isoquinoline; nitric acid Traditional Name: 1-[1H-imidazol-2-yl-[4-(methylthio)phenyl]methyl]isoquinoline; nitric acid Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)C4=NC=CN4.[N+](=O)(O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)C4=NC=CN4.[N+](=O)(O)[O-]

InChI

InChI=1S/C20H17N3S.HNO3/c1-24-16-8-6-15(7-9-16)18(20-22-12-13-23-20)19-17-5-3-2-4-14(17)10-11-21-19;2-1(3)4/h2-13,18H,1H3,(H,22,23);(H,2,3,4)