3-ethylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine

Systemtic Name: 3-ethylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 3-ethylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 3-(ethylthio)-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 3-ethylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 3-(ethylthio)-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C13H13N3S MolecularWeight: 243.32742

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C2N1C=CC3=CC=CC=C3C2

Isomeric SMILES

CCSC1=NN=C2N1C=CC3=CC=CC=C3C2

InChI

InChI=1S/C13H13N3S/c1-2-17-13-15-14-12-9-11-6-4-3-5-10(11)7-8-16(12)13/h3-8H,2,9H2,1H3