3-butylsulfanyl-6-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 3-butylsulfanyl-6-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-butylsulfanyl-6-(4-isopropylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(butylthio)-6-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-butylsulfanyl-6-(4-propan-2-ylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(butylthio)-6-p-cumenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)C(C)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)C(C)C)N=N1

InChI

InChI=1S/C23H26N4OS/c1-4-5-14-29-23-25-22-20(26-27-23)18-8-6-7-9-19(18)24-21(28-22)17-12-10-16(11-13-17)15(2)3/h6-13,15,21,24H,4-5,14H2,1-3H3