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

Systemtic Name: 4-[(2S)-2-methylbutyl]-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-[(2S)-2-methylbutyl]-3-(5-nitrothiazol-2-yl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-[(2S)-2-methylbutyl]-3-[(5-nitro-2-thiazolyl)thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-[(2S)-2-methylbutyl]-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-[(2S)-2-methylbutyl]-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:

CCC(C)CN1C(=O)NN=C1SC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)CN1C(=O)NN=C1SC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C10H13N5O3S2/c1-3-6(2)5-14-8(16)12-13-9(14)20-10-11-4-7(19-10)15(17)18/h4,6H,3,5H2,1-2H3,(H,12,16)/t6-/m0/s1