1-[3-[4-butyl-2-(phenylmethyl)-1,3-dithian-2-yl]propyl]imidazole

Systemtic Name: 1-[3-[4-butyl-2-(phenylmethyl)-1,3-dithian-2-yl]propyl]imidazole Openeye Name: 1-[3-(2-benzyl-4-butyl-1,3-dithian-2-yl)propyl]imidazole CAS Name: 1-[3-[4-butyl-2-(phenylmethyl)-1,3-dithian-2-yl]propyl]imidazole IUPAC Name: 1-[3-(2-benzyl-4-butyl-1,3-dithian-2-yl)propyl]imidazole Traditional Name: 1-[3-(2-benzyl-4-butyl-1,3-dithian-2-yl)propyl]imidazole Formula: C21H30N2S2 MolecularWeight: 374.6063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCSC(S1)(CCCN2C=CN=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1CCSC(S1)(CCCN2C=CN=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N2S2/c1-2-3-10-20-11-16-24-21(25-20,17-19-8-5-4-6-9-19)12-7-14-23-15-13-22-18-23/h4-6,8-9,13,15,18,20H,2-3,7,10-12,14,16-17H2,1H3