3-butylsulfanyl-6-ethyl-6-methyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 3-butylsulfanyl-6-ethyl-6-methyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-butylsulfanyl-6-ethyl-6-methyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(butylthio)-6-ethyl-6-methyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-butylsulfanyl-6-ethyl-6-methyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(butylthio)-6-ethyl-6-methyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)(C)CC)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)(C)CC)N=N1

InChI

InChI=1S/C17H22N4OS/c1-4-6-11-23-16-18-15-14(20-21-16)12-9-7-8-10-13(12)19-17(3,5-2)22-15/h7-10,19H,4-6,11H2,1-3H3