1-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: 1-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: 1-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: 1-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: 1-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: 1-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-3-(4-phenylphenoxy)propan-2-ol Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC(COC4=CC=C(C=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H27N3O2S/c31-24(18-32-25-15-13-22(14-16-25)21-9-5-2-6-10-21)19-33-27-29-28-26(23-11-12-23)30(27)17-20-7-3-1-4-8-20/h1-10,13-16,23-24,31H,11-12,17-19H2