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

Systemtic Name: N-[5-morpholin-4-yl-2-(phenylmethyl)-1,2,4-triazol-3-yl]-1,3-dithiolan-2-imine Openeye Name: N-(2-benzyl-5-morpholino-1,2,4-triazol-3-yl)-1,3-dithiolan-2-imine CAS Name: N-[5-(4-morpholinyl)-2-(phenylmethyl)-1,2,4-triazol-3-yl]-1,3-dithiolan-2-imine IUPAC Name: N-(2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-1,3-dithiolan-2-imine Traditional Name: (2-benzyl-5-morpholino-1,2,4-triazol-3-yl)-(1,3-dithiolan-2-ylidene)amine Formula: C16H19N5OS2 MolecularWeight: 361.48496

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN(C(=N2)N=C3SCCS3)CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NN(C(=N2)N=C3SCCS3)CC4=CC=CC=C4

InChI

InChI=1S/C16H19N5OS2/c1-2-4-13(5-3-1)12-21-14(18-16-23-10-11-24-16)17-15(19-21)20-6-8-22-9-7-20/h1-5H,6-12H2