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

Systemtic Name: 3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-one Openeye Name: 4-allyl-3-(5-nitrothiazol-2-yl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-nitro-2-thiazolyl)thio]-4-prop-2-enyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-one Traditional Name: 4-allyl-3-[(5-nitrothiazol-2-yl)thio]-1H-1,2,4-triazol-5-one Formula: C8H7N5O3S2 MolecularWeight: 285.30288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)NN=C1SC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=O)NN=C1SC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C8H7N5O3S2/c1-2-3-12-6(14)10-11-7(12)18-8-9-4-5(17-8)13(15)16/h2,4H,1,3H2,(H,10,14)