2-ethylsulfanyl-4-prop-2-enylsulfanyl-3H-1,5-benzodiazepine

Systemtic Name: 2-ethylsulfanyl-4-prop-2-enylsulfanyl-3H-1,5-benzodiazepine Openeye Name: 4-allylsulfanyl-2-ethylsulfanyl-3H-1,5-benzodiazepine CAS Name: 2-(ethylthio)-4-(prop-2-enylthio)-3H-1,5-benzodiazepine IUPAC Name: 2-ethylsulfanyl-4-prop-2-enylsulfanyl-3H-1,5-benzodiazepine Traditional Name: 4-(allylthio)-2-(ethylthio)-3H-1,5-benzodiazepine Formula: C14H16N2S2 MolecularWeight: 276.42024

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2N=C(C1)SCC=C

Isomeric SMILES

CCSC1=NC2=CC=CC=C2N=C(C1)SCC=C

InChI

InChI=1S/C14H16N2S2/c1-3-9-18-14-10-13(17-4-2)15-11-7-5-6-8-12(11)16-14/h3,5-8H,1,4,9-10H2,2H3