5-[[(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[[(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methylsulfanyl]-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[[(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methylsulfanyl]-1-phenyl-tetrazole CAS Name: 5-[[(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methylthio]-1-phenyltetrazole IUPAC Name: 5-[[(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methylsulfanyl]-1-phenyltetrazole Traditional Name: 5-[[(3aR,4S,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methylthio]-1-phenyl-tetrazole Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CCC(C2O1)CSC3=NN=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1(O[C@H]2CC[C@@H]([C@H]2O1)CSC3=NN=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C16H20N4O2S/c1-16(2)21-13-9-8-11(14(13)22-16)10-23-15-17-18-19-20(15)12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13+,14-/m1/s1