1,2-dimethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazole; methanamine

Systemtic Name: 1,2-dimethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazole; methanamine Openeye Name: 4-isopropyl-1,2-dimethyl-5-(3-nitrophenyl)sulfanyl-imidazole; methanamine CAS Name: 1,2-dimethyl-5-[(3-nitrophenyl)thio]-4-propan-2-ylimidazole; methanamine IUPAC Name: 1,2-dimethyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazole; methanamine Traditional Name: 4-isopropyl-1,2-dimethyl-5-[(3-nitrophenyl)thio]imidazole; methylamine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1C)SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C.CN

Isomeric SMILES

CC1=NC(=C(N1C)SC2=CC=CC(=C2)[N+](=O)[O-])C(C)C.CN

InChI

InChI=1S/C14H17N3O2S.CH5N/c1-9(2)13-14(16(4)10(3)15-13)20-12-7-5-6-11(8-12)17(18)19;1-2/h5-9H,1-4H3;2H2,1H3