6-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile

Systemtic Name: 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Openeye Name: 6-methyl-2-(m-tolylmethylsulfanyl)-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile CAS Name: 6-methyl-2-[(3-methylphenyl)methylthio]-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile IUPAC Name: 6-methyl-2-[(3-methylphenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Traditional Name: 6-methyl-2-[(3-methylbenzyl)thio]-4-(2-thienyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-6-ium-3-carbonitrile Formula: C22H22N3S2+ MolecularWeight: 392.56018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C[NH+](CC3)C)C(=C2C#N)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C[NH+](CC3)C)C(=C2C#N)C4=CC=CS4

InChI

InChI=1S/C22H21N3S2/c1-15-5-3-6-16(11-15)14-27-22-17(12-23)21(20-7-4-10-26-20)18-13-25(2)9-8-19(18)24-22/h3-7,10-11H,8-9,13-14H2,1-2H3/p+1