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

Systemtic Name: 1-[[5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methyl]urea Openeye Name: [4-isopropyl-5-(3-nitrophenyl)sulfanyl-1-(3-pyridylmethyl)imidazol-2-yl]methylurea CAS Name: [5-[(3-nitrophenyl)thio]-4-propan-2-yl-1-(3-pyridinylmethyl)-2-imidazolyl]methylurea IUPAC Name: [5-(3-nitrophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)imidazol-2-yl]methylurea Traditional Name: [4-isopropyl-5-[(3-nitrophenyl)thio]-1-(3-pyridylmethyl)imidazol-2-yl]methylurea Formula: C20H22N6O3S MolecularWeight: 426.49208

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O3S/c1-13(2)18-19(30-16-7-3-6-15(9-16)26(28)29)25(12-14-5-4-8-22-10-14)17(24-18)11-23-20(21)27/h3-10,13H,11-12H2,1-2H3,(H3,21,23,27)