3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropyl-pyrrolidine-2,5-dione

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropyl-pyrrolidine-2,5-dione Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropyl-pyrrolidine-2,5-dione CAS Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-cyclopropylpyrrolidine-2,5-dione IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclopropylpyrrolidine-2,5-dione Traditional Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-cyclopropyl-pyrrolidine-2,5-quinone Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)CC(C2=O)SC3=NNC(=N3)N

Isomeric SMILES

C1CC1N2C(=O)CC(C2=O)SC3=NNC(=N3)N

InChI

InChI=1S/C9H11N5O2S/c10-8-11-9(13-12-8)17-5-3-6(15)14(7(5)16)4-1-2-4/h4-5H,1-3H2,(H3,10,11,12,13)