4-[(phenylmethyl)amino]-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-[(phenylmethyl)amino]-2-(phenylmethylsulfanyl)pyridin-1-ium-3-carbonitrile Openeye Name: 4-(benzylamino)-2-benzylsulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 4-[(phenylmethyl)amino]-2-(phenylmethylthio)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(benzylamino)-2-benzylsulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 4-(benzylamino)-2-(benzylthio)pyridin-1-ium-3-carbonitrile Formula: C20H18N3S+ MolecularWeight: 332.44202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=[NH+]C=C2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=[NH+]C=C2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3S/c21-13-18-19(23-14-16-7-3-1-4-8-16)11-12-22-20(18)24-15-17-9-5-2-6-10-17/h1-12H,14-15H2,(H,22,23)/p+1