4-(azepan-1-ylmethyl)-2-(3-methylphenyl)-1,3-thiazole

Systemtic Name: 4-(azepan-1-ylmethyl)-2-(3-methylphenyl)-1,3-thiazole Openeye Name: 4-(azepan-1-ylmethyl)-2-(m-tolyl)thiazole CAS Name: 4-(1-azepanylmethyl)-2-(3-methylphenyl)thiazole IUPAC Name: 4-(azepan-1-ylmethyl)-2-(3-methylphenyl)-1,3-thiazole Traditional Name: 4-(azepan-1-ylmethyl)-2-(m-tolyl)thiazole Formula: C17H22N2S MolecularWeight: 286.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=CS2)CN3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=CS2)CN3CCCCCC3

InChI

InChI=1S/C17H22N2S/c1-14-7-6-8-15(11-14)17-18-16(13-20-17)12-19-9-4-2-3-5-10-19/h6-8,11,13H,2-5,9-10,12H2,1H3