6-methyl-2-prop-2-enylsulfanyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-prop-2-enylsulfanyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-allylsulfanyl-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-(prop-2-enylthio)-4-(3-thiophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-prop-2-enylsulfanyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-(allylthio)-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C17H18N3S2+ MolecularWeight: 328.47492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC=C)C#N)C3=CSC=C3

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC=C)C#N)C3=CSC=C3

InChI

InChI=1S/C17H17N3S2/c1-3-7-22-17-13(9-18)16(12-5-8-21-11-12)14-10-20(2)6-4-15(14)19-17/h3,5,8,11H,1,4,6-7,10H2,2H3/p+1