2-[2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethylamino]-1-phenyl-ethanol

Systemtic Name: 2-[2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethylamino]-1-phenyl-ethanol Openeye Name: 2-[2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylamino]-1-phenyl-ethanol CAS Name: 2-[2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]ethylamino]-1-phenylethanol IUPAC Name: 2-[2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethylamino]-1-phenylethanol Traditional Name: 2-[2-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethylamino]-1-phenyl-ethanol Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCCNCC(C2=CC=CC=C2)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN=C1SCCNCC(C2=CC=CC=C2)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N4O2S/c1-16(2)26-21(18-9-11-19(28-3)12-10-18)24-25-22(26)29-14-13-23-15-20(27)17-7-5-4-6-8-17/h4-12,16,20,23,27H,13-15H2,1-3H3