N-[5-morpholin-4-yl-2-(phenylmethyl)-1,2,4-triazol-3-yl]-1,3-dithian-2-imine

Systemtic Name: N-[5-morpholin-4-yl-2-(phenylmethyl)-1,2,4-triazol-3-yl]-1,3-dithian-2-imine Openeye Name: N-(2-benzyl-5-morpholino-1,2,4-triazol-3-yl)-1,3-dithian-2-imine CAS Name: N-[5-(4-morpholinyl)-2-(phenylmethyl)-1,2,4-triazol-3-yl]-1,3-dithian-2-imine IUPAC Name: N-(2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,3-dithian-2-imine Traditional Name: (2-benzyl-5-morpholino-1,2,4-triazol-3-yl)-(1,3-dithian-2-ylidene)amine Formula: C17H21N5OS2 MolecularWeight: 375.51154

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=NC2=NC(=NN2CC3=CC=CC=C3)N4CCOCC4)SC1

Isomeric SMILES

C1CSC(=NC2=NC(=NN2CC3=CC=CC=C3)N4CCOCC4)SC1

InChI

InChI=1S/C17H21N5OS2/c1-2-5-14(6-3-1)13-22-15(19-17-24-11-4-12-25-17)18-16(20-22)21-7-9-23-10-8-21/h1-3,5-6H,4,7-13H2