6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 2-[(E)-cinnamyl]sulfanyl-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-[[(E)-3-phenylprop-2-enyl]thio]-4-(3-thiophenyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4-thiophen-3-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 2-[[(E)-cinnamyl]thio]-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C23H22N3S2+ MolecularWeight: 404.57088

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SCC=CC3=CC=CC=C3)C#N)C4=CSC=C4

Isomeric SMILES

C[NH+]1CCC2=C(C1)C(=C(C(=N2)SC/C=C/C3=CC=CC=C3)C#N)C4=CSC=C4

InChI

InChI=1S/C23H21N3S2/c1-26-11-9-21-20(15-26)22(18-10-13-27-16-18)19(14-24)23(25-21)28-12-5-8-17-6-3-2-4-7-17/h2-8,10,13,16H,9,11-12,15H2,1H3/p+1/b8-5+