4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]methyl]-N-phenyl-benzamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C23H25N5OS/c29-21(24-19-6-2-1-3-7-19)18-10-8-17(9-11-18)16-30-23-26-25-22(27-14-4-5-15-27)28(23)20-12-13-20/h1-3,6-11,20H,4-5,12-16H2,(H,24,29)