2-butyl-4-chloranyl-5-methanoyl-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole

Systemtic Name: 2-butyl-4-chloranyl-5-methanoyl-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole Openeye Name: 2-butyl-4-chloro-5-formyl-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole CAS Name: 2-butyl-4-chloro-5-formyl-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole IUPAC Name: 2-butyl-4-chloro-5-formyl-1-[[4-[2-(sulfinoamino)phenyl]phenyl]methyl]imidazole Traditional Name: 2-butyl-4-chloro-5-formyl-1-[4-[2-(sulfinoamino)phenyl]benzyl]imidazole Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)O)C=O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3NS(=O)O)C=O)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-2-3-8-20-23-21(22)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)24-29(27)28/h4-7,9-12,14,24H,2-3,8,13H2,1H3,(H,27,28)