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diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-1H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium iodide

diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-1H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium iodide

Systemtic Name:diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-1H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium iodide
Openeye Name:diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-1H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]ammonium iodide
CAS Name:diethyl-methyl-[2-[[2-[4-(phenylthio)phenyl]-1H-1,5-benzodiazepin-4-yl]thio]ethyl]ammonium iodide
IUPAC Name:diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-1H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium iodide
Traditional Name:diethyl-methyl-[2-[[2-[4-(phenylthio)phenyl]-1H-1,5-benzodiazepin-4-yl]thio]ethyl]ammonium iodide
Formula: C28H32IN3S2
MolecularWeight: 601.60825
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2NC(=C1)C3=CC=C(C=C3)SC4=CC=CC=C4.[I-]


Isomeric SMILES

CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2NC(=C1)C3=CC=C(C=C3)SC4=CC=CC=C4.[I-]


InChI

InChI=1S/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18,21,29H,4-5,19-20H2,1-3H3;1H/q+1;/p-1


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