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

Systemtic Name: [5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methanamine Openeye Name: [4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(4-pyridylmethyl)imidazol-2-yl]methanamine CAS Name: [5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(pyridin-4-ylmethyl)-2-imidazolyl]methanamine IUPAC Name: [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]methylamine Formula: C19H21N5O2S MolecularWeight: 383.46734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2S/c1-13(2)18-19(27-16-5-3-4-15(10-16)24(25)26)23(17(11-20)22-18)12-14-6-8-21-9-7-14/h3-10,13H,11-12,20H2,1-2H3