2-azanyl-6-[(1S)-3-cyclopropyl-1-phenyl-propyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(1S)-3-cyclopropyl-1-phenyl-propyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(1S)-3-cyclopropyl-1-phenyl-propyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(1S)-3-cyclopropyl-1-phenylpropyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(1S)-3-cyclopropyl-1-phenylpropyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(1S)-3-cyclopropyl-1-phenyl-propyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C19H19N4S+ MolecularWeight: 335.44596

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CCC(C2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1CC1CC[C@@H](C2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C19H18N4S/c20-11-15-10-16(12-21)19(23-18(15)22)24-17(9-8-13-6-7-13)14-4-2-1-3-5-14/h1-5,10,13,17H,6-9H2,(H2,22,23)/p+1/t17-/m0/s1