(E)-(3,5-diphenyl-3,4-dihydropyrazol-2-ium-2-ylidene)-methylsulfanyl-methanamine

Systemtic Name: (E)-(3,5-diphenyl-3,4-dihydropyrazol-2-ium-2-ylidene)-methylsulfanyl-methanamine Openeye Name: (E)-(3,5-diphenyl-3,4-dihydropyrazol-2-ium-2-ylidene)-methylsulfanyl-methanamine CAS Name: (E)-(3,5-diphenyl-3,4-dihydropyrazol-2-ium-2-ylidene)-(methylthio)methanamine IUPAC Name: (E)-(3,5-diphenyl-3,4-dihydropyrazol-2-ium-2-ylidene)-methylsulfanylmethanamine Traditional Name: [(E)-(3,5-diphenyl-2-pyrazolin-1-ium-1-ylidene)-(methylthio)methyl]amine Formula: C17H18N3S+ MolecularWeight: 296.40992

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=[N+]1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

CS/C(=[N+]/1\C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)/N

InChI

InChI=1S/C17H17N3S/c1-21-17(18)20-16(14-10-6-3-7-11-14)12-15(19-20)13-8-4-2-5-9-13/h2-11,16,18H,12H2,1H3/p+1