methanamine; 3-[[2-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-1-yl]methyl]pyridine

Systemtic Name: methanamine; 3-[[2-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-1-yl]methyl]pyridine Openeye Name: 3-[[4-isopropyl-2-methyl-5-(3-nitrophenyl)sulfanyl-imidazol-1-yl]methyl]pyridine; methanamine CAS Name: methanamine; 3-[[2-methyl-5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-imidazolyl]methyl]pyridine IUPAC Name: methanamine; 3-[[2-methyl-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine Traditional Name: 3-[[4-isopropyl-2-methyl-5-[(3-nitrophenyl)thio]imidazol-1-yl]methyl]pyridine; methylamine Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CN=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-])C(C)C.CN

Isomeric SMILES

CC1=NC(=C(N1CC2=CN=CC=C2)SC3=CC=CC(=C3)[N+](=O)[O-])C(C)C.CN

InChI

InChI=1S/C19H20N4O2S.CH5N/c1-13(2)18-19(26-17-8-4-7-16(10-17)23(24)25)22(14(3)21-18)12-15-6-5-9-20-11-15;1-2/h4-11,13H,12H2,1-3H3;2H2,1H3