benzene; 1-[3-oxidanyl-3-phenyl-4-(1H-1,2,4-triazol-5-yl)butan-2-yl]sulfanylpropane-1,3-diol

Systemtic Name: benzene; 1-[3-oxidanyl-3-phenyl-4-(1H-1,2,4-triazol-5-yl)butan-2-yl]sulfanylpropane-1,3-diol Openeye Name: benzene; 1-[2-hydroxy-1-methyl-2-phenyl-3-(1H-1,2,4-triazol-5-yl)propyl]sulfanylpropane-1,3-diol CAS Name: benzene; 1-[[3-hydroxy-3-phenyl-4-(1H-1,2,4-triazol-5-yl)butan-2-yl]thio]propane-1,3-diol IUPAC Name: benzene; 1-[3-hydroxy-3-phenyl-4-(1H-1,2,4-triazol-5-yl)butan-2-yl]sulfanylpropane-1,3-diol Traditional Name: benzene; 1-[[2-hydroxy-1-methyl-2-phenyl-3-(1H-1,2,4-triazol-5-yl)propyl]thio]propane-1,3-diol Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=NC=NN1)(C2=CC=CC=C2)O)SC(CCO)O.C1=CC=CC=C1

Isomeric SMILES

CC(C(CC1=NC=NN1)(C2=CC=CC=C2)O)SC(CCO)O.C1=CC=CC=C1

InChI

InChI=1S/C15H21N3O3S.C6H6/c1-11(22-14(20)7-8-19)15(21,9-13-16-10-17-18-13)12-5-3-2-4-6-12;1-2-4-6-5-3-1/h2-6,10-11,14,19-21H,7-9H2,1H3,(H,16,17,18);1-6H