3-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole

Systemtic Name: 3-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole Formula: C19H27N3OS MolecularWeight: 345.50218

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NOC(=C3)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NOC(=C3)C

InChI

InChI=1S/C19H27N3OS/c1-3-24-19-7-5-17(6-8-19)14-21-9-4-10-22(12-11-21)15-18-13-16(2)23-20-18/h5-8,13H,3-4,9-12,14-15H2,1-2H3