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

Systemtic Name: 6-[(4-chlorophenyl)methylsulfanyl]-3-(phenylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium Openeye Name: 3-benzyl-6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazin-5-ium CAS Name: 6-[(4-chlorophenyl)methylthio]-3-(phenylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium IUPAC Name: 3-benzyl-6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazin-5-ium Traditional Name: 3-benzyl-6-[(4-chlorobenzyl)thio]-2,4-dihydro-1H-s-triazin-5-ium Formula: C17H19ClN3S+ MolecularWeight: 332.87086

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=[NH+]CN1CC2=CC=CC=C2)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1NC(=[NH+]CN1CC2=CC=CC=C2)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN3S/c18-16-8-6-15(7-9-16)11-22-17-19-12-21(13-20-17)10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)/p+1