4-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C18H19N4OS2- MolecularWeight: 371.49966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)CN2C(=NN=C2[S-])C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CN2C(=NN=C2[S-])C3=CC=CS3)C

InChI

InChI=1S/C18H20N4OS2/c1-12-6-7-14(13(2)9-12)10-21(3)16(23)11-22-17(19-20-18(22)24)15-5-4-8-25-15/h4-9H,10-11H2,1-3H3,(H,20,24)/p-1