2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)ethanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-pyrrolidin-1-yl-3-pyridyl)acetamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-[6-(1-pyrrolidinyl)-3-pyridinyl]acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-pyrrolidin-1-ylpyridin-3-yl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(6-pyrrolidino-3-pyridyl)acetamide Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C23H26N6OS/c30-21(25-19-10-11-20(24-14-19)28-12-4-5-13-28)16-31-23-27-26-22(18-8-9-18)29(23)15-17-6-2-1-3-7-17/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15-16H2,(H,25,30)