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

Systemtic Name: 4-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]methyl]-N-phenyl-benzamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C23H25N5O2S/c29-21(24-19-4-2-1-3-5-19)18-8-6-17(7-9-18)16-31-23-26-25-22(28(23)20-10-11-20)27-12-14-30-15-13-27/h1-9,20H,10-16H2,(H,24,29)