5-[(5-azanyl-4-phenyl-1,2,3-triazol-1-yl)methyl]-1-methylsulfonyl-pyrrolidine-3-thiol

Systemtic Name: 5-[(5-azanyl-4-phenyl-1,2,3-triazol-1-yl)methyl]-1-methylsulfonyl-pyrrolidine-3-thiol Openeye Name: 5-[(5-amino-4-phenyl-triazol-1-yl)methyl]-1-methylsulfonyl-pyrrolidine-3-thiol CAS Name: 5-[(5-amino-4-phenyl-1-triazolyl)methyl]-1-methylsulfonyl-3-pyrrolidinethiol IUPAC Name: 5-[(5-amino-4-phenyltriazol-1-yl)methyl]-1-methylsulfonylpyrrolidine-3-thiol Traditional Name: 5-[(5-amino-4-phenyl-triazol-1-yl)methyl]-1-mesyl-pyrrolidine-3-thiol Formula: C14H19N5O2S2 MolecularWeight: 353.46296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(CC1CN2C(=C(N=N2)C3=CC=CC=C3)N)S

Isomeric SMILES

CS(=O)(=O)N1CC(CC1CN2C(=C(N=N2)C3=CC=CC=C3)N)S

InChI

InChI=1S/C14H19N5O2S2/c1-23(20,21)19-9-12(22)7-11(19)8-18-14(15)13(16-17-18)10-5-3-2-4-6-10/h2-6,11-12,22H,7-9,15H2,1H3