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

Systemtic Name: 1-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol Openeye Name: 1-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol CAS Name: 1-[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-3-phenoxy-2-propanol IUPAC Name: 1-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxypropan-2-ol Traditional Name: 1-[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]-3-phenoxy-propan-2-ol Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC(COC4=CC=CC=C4)O

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C21H23ClN4O2S/c22-18-10-4-5-11-19(18)26-20(25-12-6-7-13-25)23-24-21(26)29-15-16(27)14-28-17-8-2-1-3-9-17/h1-5,8-11,16,27H,6-7,12-15H2