2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-2-phenyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)-2-phenylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-2-phenylacetamide Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)-2-phenyl-acetamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C25H23N5O2S/c1-32-21-13-9-19(10-14-21)27-24(31)22(17-6-3-2-4-7-17)33-25-29-28-23(30(25)20-11-12-20)18-8-5-15-26-16-18/h2-10,13-16,20,22H,11-12H2,1H3,(H,27,31)