2-(chloromethyl)-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enyl-imidazole

Systemtic Name: 2-(chloromethyl)-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enyl-imidazole Openeye Name: 1-allyl-2-(chloromethyl)-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazole CAS Name: 2-(chloromethyl)-5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-prop-2-enylimidazole IUPAC Name: 2-(chloromethyl)-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-prop-2-enylimidazole Traditional Name: 1-allyl-2-(chloromethyl)-4-isopropyl-5-[(3-nitrophenyl)thio]imidazole Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)CCl)CC=C)SC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CCl)CC=C)SC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN3O2S/c1-4-8-19-14(10-17)18-15(11(2)3)16(19)23-13-7-5-6-12(9-13)20(21)22/h4-7,9,11H,1,8,10H2,2-3H3