2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-1,6-diium-3-carbonitrile Formula: C17H18ClN3S+2 MolecularWeight: 331.86292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C=C(C(=[NH+]2)SCC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C1)C=C(C(=[NH+]2)SCC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H16ClN3S/c1-21-7-6-16-14(10-21)8-13(9-19)17(20-16)22-11-12-2-4-15(18)5-3-12/h2-5,8H,6-7,10-11H2,1H3/p+2