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

Systemtic Name: 3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(5-nitrothiazol-2-yl)sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-nitro-2-thiazolyl)thio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-nitrothiazol-2-yl)thio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C11H7N5O3S2 MolecularWeight: 321.33498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7N5O3S2/c17-9-13-14-10(15(9)7-4-2-1-3-5-7)21-11-12-6-8(20-11)16(18)19/h1-6H,(H,13,17)