1-methyl-5-[(E)-2-(2-naphthalen-2-ylsulfanylphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride

Systemtic Name: 1-methyl-5-[(E)-2-(2-naphthalen-2-ylsulfanylphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 1-methyl-5-[(E)-2-[2-(2-naphthylsulfanyl)phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 1-methyl-5-[(E)-2-[2-(2-naphthalenylthio)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 1-methyl-5-[(E)-2-(2-naphthalen-2-ylsulfanylphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 1-methyl-5-[(E)-2-[2-(2-naphthylthio)phenyl]vinyl]-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C28H26Cl2N2S MolecularWeight: 493.49044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=CC=CC=C3SC4=CC5=CC=CC=C5C=C4.Cl.Cl

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=CC=CC=C3SC4=CC5=CC=CC=C5C=C4.Cl.Cl

InChI

InChI=1S/C28H24N2S.2ClH/c1-30-19-18-29-26(25-11-5-6-12-27(25)30)17-15-22-9-4-7-13-28(22)31-24-16-14-21-8-2-3-10-23(21)20-24;;/h2-17,20H,18-19H2,1H3;2*1H/b17-15+;;