1-[[5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methyl]urea

Systemtic Name: 1-[[5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methyl]urea Openeye Name: [4-isopropyl-5-phenylsulfanyl-1-(3-pyridylmethyl)imidazol-2-yl]methylurea CAS Name: [5-(phenylthio)-4-propan-2-yl-1-(3-pyridinylmethyl)-2-imidazolyl]methylurea IUPAC Name: [5-phenylsulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylurea Traditional Name: [4-isopropyl-5-(phenylthio)-1-(3-pyridylmethyl)imidazol-2-yl]methylurea Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=N1)CNC(=O)N)CC2=CN=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(N(C(=N1)CNC(=O)N)CC2=CN=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H23N5OS/c1-14(2)18-19(27-16-8-4-3-5-9-16)25(13-15-7-6-10-22-11-15)17(24-18)12-23-20(21)26/h3-11,14H,12-13H2,1-2H3,(H3,21,23,26)