1-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol

Systemtic Name: 1-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol Openeye Name: 1-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol CAS Name: 1-[[4-butyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-3-(2-methyl-5-nitro-1-imidazolyl)-2-propanol IUPAC Name: 1-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol Traditional Name: 1-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(CN2C(=NC=C2[N+](=O)[O-])C)O)C3=CC=CO3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(CN2C(=NC=C2[N+](=O)[O-])C)O)C3=CC=CO3

InChI

InChI=1S/C17H22N6O4S/c1-3-4-7-21-16(14-6-5-8-27-14)19-20-17(21)28-11-13(24)10-22-12(2)18-9-15(22)23(25)26/h5-6,8-9,13,24H,3-4,7,10-11H2,1-2H3