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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C14H17N5O3S2/c1-18-14(15-16-17-18)23-10-13(20)11-4-6-12(7-5-11)24(21,22)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3