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

Systemtic Name: 2-[1-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]sulfanylpyrimidine Openeye Name: 2-[[1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidyl]sulfanyl]pyrimidine CAS Name: 2-[[1-[3-methyl-4-(1-tetrazolyl)phenyl]sulfonyl-4-piperidinyl]thio]pyrimidine IUPAC Name: 2-[1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]sulfanylpyrimidine Traditional Name: 2-[[1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidyl]thio]pyrimidine Formula: C17H19N7O2S2 MolecularWeight: 417.50846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)SC3=NC=CC=N3)N4C=NN=N4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)SC3=NC=CC=N3)N4C=NN=N4

InChI

InChI=1S/C17H19N7O2S2/c1-13-11-15(3-4-16(13)24-12-20-21-22-24)28(25,26)23-9-5-14(6-10-23)27-17-18-7-2-8-19-17/h2-4,7-8,11-12,14H,5-6,9-10H2,1H3