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

Systemtic Name: 3-[[2-(2-azidoethyl)-5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-imidazol-1-yl]methyl]pyridine Openeye Name: 3-[[2-(2-azidoethyl)-4-isopropyl-5-(3-nitrophenyl)sulfanyl-imidazol-1-yl]methyl]pyridine CAS Name: 3-[[2-(2-azidoethyl)-5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-imidazolyl]methyl]pyridine IUPAC Name: 3-[[2-(2-azidoethyl)-5-(3-nitrophenyl)sulfanyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine Traditional Name: 3-[[2-(2-azidoethyl)-4-isopropyl-5-[(3-nitrophenyl)thio]imidazol-1-yl]methyl]pyridine Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O2S/c1-14(2)19-20(30-17-7-3-6-16(11-17)27(28)29)26(13-15-5-4-9-22-12-15)18(24-19)8-10-23-25-21/h3-7,9,11-12,14H,8,10,13H2,1-2H3