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

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cycloheptyl-pyrrolidine-2,5-dione Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cycloheptyl-pyrrolidine-2,5-dione CAS Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-cycloheptylpyrrolidine-2,5-dione IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-cycloheptylpyrrolidine-2,5-dione Traditional Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-cycloheptyl-pyrrolidine-2,5-quinone Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=O)CC(C2=O)SC3=NNC(=N3)N

Isomeric SMILES

C1CCCC(CC1)N2C(=O)CC(C2=O)SC3=NNC(=N3)N

InChI

InChI=1S/C13H19N5O2S/c14-12-15-13(17-16-12)21-9-7-10(19)18(11(9)20)8-5-3-1-2-4-6-8/h8-9H,1-7H2,(H3,14,15,16,17)