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

Systemtic Name: 3-(5-nitrothiophen-2-yl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-nitro-2-thienyl)sulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-nitro-2-thiophenyl)thio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(5-nitrothiophen-2-yl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-nitro-2-thienyl)thio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C12H8N4O3S2 MolecularWeight: 320.34692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)NN=C2SC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)NN=C2SC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C12H8N4O3S2/c17-11-13-14-12(15(11)8-4-2-1-3-5-8)21-10-7-6-9(20-10)16(18)19/h1-7H,(H,13,17)