2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NN=NN3C4CC4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C16H19N5O3S2/c22-15(11-25-16-17-18-19-21(16)13-5-6-13)12-3-7-14(8-4-12)26(23,24)20-9-1-2-10-20/h3-4,7-8,13H,1-2,5-6,9-11H2