diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium

Systemtic Name: diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium Openeye Name: diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]ammonium CAS Name: diethyl-methyl-[2-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]ethyl]ammonium IUPAC Name: diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium Traditional Name: diethyl-methyl-[2-[[2-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-4-yl]thio]ethyl]ammonium Formula: C28H32N3S2+ MolecularWeight: 474.70378

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H32N3S2/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/h6-18H,4-5,19-21H2,1-3H3/q+1