3-methylsulfanyl-5-propan-2-yl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine

Systemtic Name: 3-methylsulfanyl-5-propan-2-yl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 5-isopropyl-3-methylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 3-(methylthio)-5-propan-2-yl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 3-methylsulfanyl-5-propan-2-yl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 5-isopropyl-3-(methylthio)-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C15H17N3S MolecularWeight: 271.38058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=CC=CC=C2CC3=NN=C(N31)SC

Isomeric SMILES

CC(C)C1=CC2=CC=CC=C2CC3=NN=C(N31)SC

InChI

InChI=1S/C15H17N3S/c1-10(2)13-8-11-6-4-5-7-12(11)9-14-16-17-15(19-3)18(13)14/h4-8,10H,9H2,1-3H3