3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-pentyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-pentyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(5-nitrothiazol-2-yl)sulfanyl-4-pentyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-nitro-2-thiazolyl)thio]-4-pentyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-pentyl-1H-1,2,4-triazol-5-one Traditional Name: 4-amyl-3-[(5-nitrothiazol-2-yl)thio]-1H-1,2,4-triazol-5-one Formula: C10H13N5O3S2 MolecularWeight: 315.37192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)NN=C1SC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)NN=C1SC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C10H13N5O3S2/c1-2-3-4-5-14-8(16)12-13-9(14)20-10-11-6-7(19-10)15(17)18/h6H,2-5H2,1H3,(H,12,16)