N-(4-ethanoylphenyl)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-acetylphenyl)-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H23N5O2S/c1-17(31)20-10-12-22(13-11-20)27-24(32)18(2)33-25-29-28-23(21-9-6-14-26-15-21)30(25)16-19-7-4-3-5-8-19/h3-15,18H,16H2,1-2H3,(H,27,32)