butan-1-ol; 4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazole

Systemtic Name: butan-1-ol; 4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazole Openeye Name: butan-1-ol; 5-isopropyl-4-(3-nitrophenyl)sulfanyl-1H-imidazole CAS Name: 1-butanol; 4-[(3-nitrophenyl)thio]-5-propan-2-yl-1H-imidazole IUPAC Name: butan-1-ol; 4-(3-nitrophenyl)sulfanyl-5-propan-2-yl-1H-imidazole Traditional Name: butan-1-ol; 5-isopropyl-4-[(3-nitrophenyl)thio]-1H-imidazole Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.CC(C)C1=C(N=CN1)SC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCO.CC(C)C1=C(N=CN1)SC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O2S.C4H10O/c1-8(2)11-12(14-7-13-11)18-10-5-3-4-9(6-10)15(16)17;1-2-3-4-5/h3-8H,1-2H3,(H,13,14);5H,2-4H2,1H3