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

Systemtic Name: 1-methyl-5-[(E)-2-(2-pentylsulfanylphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine Openeye Name: 1-methyl-5-[(E)-2-(2-pentylsulfanylphenyl)vinyl]-2,3-dihydro-1,4-benzodiazepine CAS Name: 1-methyl-5-[(E)-2-[2-(pentylthio)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 1-methyl-5-[(E)-2-(2-pentylsulfanylphenyl)ethenyl]-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-[2-(amylthio)phenyl]vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine Formula: C23H28N2S MolecularWeight: 364.54682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC=CC=C1C=CC2=NCCN(C3=CC=CC=C32)C

Isomeric SMILES

CCCCCSC1=CC=CC=C1/C=C/C2=NCCN(C3=CC=CC=C32)C

InChI

InChI=1S/C23H28N2S/c1-3-4-9-18-26-23-13-8-5-10-19(23)14-15-21-20-11-6-7-12-22(20)25(2)17-16-24-21/h5-8,10-15H,3-4,9,16-18H2,1-2H3/b15-14+