N,N-dimethyl-1-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methanamine

Systemtic Name: N,N-dimethyl-1-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methanamine Openeye Name: 1-[4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(4-pyridylmethyl)imidazol-2-yl]-N,N-dimethyl-methanamine CAS Name: N,N-dimethyl-1-[5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-2-imidazolyl]methanamine IUPAC Name: N,N-dimethyl-1-[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methanamine Traditional Name: [4-isopropyl-5-[(3-nitrophenyl)thio]-1-(4-pyridylmethyl)imidazol-2-yl]methyl-dimethyl-amine Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)CN(C)C)CC2=CC=NC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CN(C)C)CC2=CC=NC=C2)SC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O2S/c1-15(2)20-21(29-18-7-5-6-17(12-18)26(27)28)25(19(23-20)14-24(3)4)13-16-8-10-22-11-9-16/h5-12,15H,13-14H2,1-4H3