6-[(4-methylphenyl)methylsulfanyl]-3-(phenylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium

Systemtic Name: 6-[(4-methylphenyl)methylsulfanyl]-3-(phenylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium Openeye Name: 3-benzyl-6-(p-tolylmethylsulfanyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium CAS Name: 6-[(4-methylphenyl)methylthio]-3-(phenylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium IUPAC Name: 3-benzyl-6-[(4-methylphenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazin-5-ium Traditional Name: 3-benzyl-6-[(4-methylbenzyl)thio]-2,4-dihydro-1H-s-triazin-5-ium Formula: C18H22N3S+ MolecularWeight: 312.45238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=[NH+]CN(CN2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=[NH+]CN(CN2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3S/c1-15-7-9-17(10-8-15)12-22-18-19-13-21(14-20-18)11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,20)/p+1