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

Systemtic Name: 5,11-dimethyl-3-methylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Openeye Name: 5,11-dimethyl-3-methylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine CAS Name: 5,11-dimethyl-3-(methylthio)-11H-[1,2,4]triazolo[3,4-b][3]benzazepine IUPAC Name: 5,11-dimethyl-3-methylsulfanyl-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Traditional Name: 5,11-dimethyl-3-(methylthio)-11H-[1,2,4]triazolo[3,4-b][3]benzazepine Formula: C14H15N3S MolecularWeight: 257.354

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C=C(N3C1=NN=C3SC)C

Isomeric SMILES

CC1C2=CC=CC=C2C=C(N3C1=NN=C3SC)C

InChI

InChI=1S/C14H15N3S/c1-9-8-11-6-4-5-7-12(11)10(2)13-15-16-14(18-3)17(9)13/h4-8,10H,1-3H3