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

Systemtic Name: 4-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[[4-(ethylthio)phenyl]methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-[(4-ethylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-[4-(ethylthio)benzyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-isoxazole Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(ON=C3C)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(ON=C3C)C

InChI

InChI=1S/C20H29N3OS/c1-4-25-19-8-6-18(7-9-19)14-22-10-5-11-23(13-12-22)15-20-16(2)21-24-17(20)3/h6-9H,4-5,10-15H2,1-3H3