3-(5-nitrothiophen-2-yl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(5-nitrothiophen-2-yl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-one Openeye Name: 4-allyl-3-[(5-nitro-2-thienyl)sulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-nitro-2-thiophenyl)thio]-4-prop-2-enyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(5-nitrothiophen-2-yl)sulfanyl-4-prop-2-enyl-1H-1,2,4-triazol-5-one Traditional Name: 4-allyl-3-[(5-nitro-2-thienyl)thio]-1H-1,2,4-triazol-5-one Formula: C9H8N4O3S2 MolecularWeight: 284.31482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N4O3S2/c1-2-5-12-8(14)10-11-9(12)18-7-4-3-6(17-7)13(15)16/h2-4H,1,5H2,(H,10,14)