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

Systemtic Name: N-[5-methylsulfanyl-2-(phenylmethyl)-1,2,4-triazol-3-yl]-1,3-dithiolan-2-imine Openeye Name: N-(2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1,3-dithiolan-2-imine CAS Name: N-[5-(methylthio)-2-(phenylmethyl)-1,2,4-triazol-3-yl]-1,3-dithiolan-2-imine IUPAC Name: N-(2-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-1,3-dithiolan-2-imine Traditional Name: [2-benzyl-5-(methylthio)-1,2,4-triazol-3-yl]-(1,3-dithiolan-2-ylidene)amine Formula: C13H14N4S3 MolecularWeight: 322.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)N=C2SCCS2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NN(C(=N1)N=C2SCCS2)CC3=CC=CC=C3

InChI

InChI=1S/C13H14N4S3/c1-18-12-14-11(15-13-19-7-8-20-13)17(16-12)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3