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

Systemtic Name: 1-[imidazol-1-yl-(4-methylsulfanylphenyl)methyl]isoquinoline; nitric acid Openeye Name: 1-[imidazol-1-yl-(4-methylsulfanylphenyl)methyl]isoquinoline; nitric acid CAS Name: 1-[1-imidazolyl-[4-(methylthio)phenyl]methyl]isoquinoline; nitric acid IUPAC Name: 1-[imidazol-1-yl-(4-methylsulfanylphenyl)methyl]isoquinoline; nitric acid Traditional Name: 1-[imidazol-1-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)N4C=CN=C4.[N+](=O)(O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)N4C=CN=C4.[N+](=O)(O)[O-]

InChI

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