1-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol Openeye Name: 1-phenoxy-3-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol CAS Name: 1-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-3-phenoxy-2-propanol IUPAC Name: 1-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxypropan-2-ol Traditional Name: 1-phenoxy-3-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]propan-2-ol Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(COC3=CC=CC=C3)O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(COC3=CC=CC=C3)O)N4CCCC4

InChI

InChI=1S/C22H26N4O2S/c1-17-9-11-18(12-10-17)26-21(25-13-5-6-14-25)23-24-22(26)29-16-19(27)15-28-20-7-3-2-4-8-20/h2-4,7-12,19,27H,5-6,13-16H2,1H3