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

Systemtic Name: N-(diphenylmethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-benzhydryl-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(diphenylmethyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-benzhydryl-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-benzhydryl-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H25N5OS/c1-3-30-23(21-14-16-26-17-15-21)28-29-25(30)32-18(2)24(31)27-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-18,22H,3H2,1-2H3,(H,27,31)