4-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C18H24N5O2S- MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NC2=CC=CC(=C2)C(=O)N(CC)CC)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)NC2=CC=CC(=C2)C(=O)N(CC)CC)[S-]

InChI

InChI=1S/C18H25N5O2S/c1-4-8-15-20-21-18(26)23(15)12-16(24)19-14-10-7-9-13(11-14)17(25)22(5-2)6-3/h7,9-11H,4-6,8,12H2,1-3H3,(H,19,24)(H,21,26)/p-1