2-[1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]sulfanylpyrimidine

Systemtic Name: 2-[1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]sulfanylpyrimidine Openeye Name: 2-[[1-[4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidyl]sulfanyl]pyrimidine CAS Name: 2-[[1-[4-(1-tetrazolyl)phenyl]sulfonyl-4-piperidinyl]thio]pyrimidine IUPAC Name: 2-[1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]sulfanylpyrimidine Traditional Name: 2-[[1-[4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidyl]thio]pyrimidine Formula: C16H17N7O2S2 MolecularWeight: 403.48188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1CN(CCC1SC2=NC=CC=N2)S(=O)(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C16H17N7O2S2/c24-27(25,15-4-2-13(3-5-15)23-12-19-20-21-23)22-10-6-14(7-11-22)26-16-17-8-1-9-18-16/h1-5,8-9,12,14H,6-7,10-11H2