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

Systemtic Name: N-(phenylmethyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: N-benzyl-N-isopropyl-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(phenylmethyl)-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: N-benzyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide Traditional Name: N-benzyl-N-isopropyl-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H25N5OS/c1-19(2)29(17-20-10-5-3-6-11-20)23(31)18-32-25-28-27-24(21-12-9-15-26-16-21)30(25)22-13-7-4-8-14-22/h3-16,19H,17-18H2,1-2H3