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

Systemtic Name: 3-[[2-(2-azidoethyl)-5-phenylsulfanyl-4-propan-2-yl-imidazol-1-yl]methyl]pyridine Openeye Name: 3-[[2-(2-azidoethyl)-4-isopropyl-5-phenylsulfanyl-imidazol-1-yl]methyl]pyridine CAS Name: 3-[[2-(2-azidoethyl)-5-(phenylthio)-4-propan-2-yl-1-imidazolyl]methyl]pyridine IUPAC Name: 3-[[2-(2-azidoethyl)-5-phenylsulfanyl-4-propan-2-ylimidazol-1-yl]methyl]pyridine Traditional Name: 3-[[2-(2-azidoethyl)-4-isopropyl-5-(phenylthio)imidazol-1-yl]methyl]pyridine Formula: C20H22N6S MolecularWeight: 378.49388

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6S/c1-15(2)19-20(27-17-8-4-3-5-9-17)26(14-16-7-6-11-22-13-16)18(24-19)10-12-23-25-21/h3-9,11,13,15H,10,12,14H2,1-2H3