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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclohexyl-pyrrolidine-2,5-dione Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclohexyl-pyrrolidine-2,5-dione CAS Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-cyclohexylpyrrolidine-2,5-dione IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cyclohexylpyrrolidine-2,5-dione Traditional Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-cyclohexyl-pyrrolidine-2,5-quinone Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)CC(C2=O)SC3=NNC(=N3)N

Isomeric SMILES

C1CCC(CC1)N2C(=O)CC(C2=O)SC3=NNC(=N3)N

InChI

InChI=1S/C12H17N5O2S/c13-11-14-12(16-15-11)20-8-6-9(18)17(10(8)19)7-4-2-1-3-5-7/h7-8H,1-6H2,(H3,13,14,15,16)