2-[[4-(phenylmethyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide

Systemtic Name: 2-[[4-(phenylmethyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[4-benzyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[4-(phenylmethyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[4-benzyl-5-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[4-benzyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CN=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4=CN=CC=C4

InChI

InChI=1S/C25H25N5O2S/c1-18(2)32-22-12-6-10-20(14-22)24-28-29-25(30(24)16-19-8-4-3-5-9-19)33-17-23(31)27-21-11-7-13-26-15-21/h3-15,18H,16-17H2,1-2H3,(H,27,31)