3-[(diethylcarbamothioylamino)methyl]-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 3-[(diethylcarbamothioylamino)methyl]-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 3-[(diethylcarbamothioylamino)methyl]-5-(5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid CAS Name: 3-[[[diethylamino(sulfanylidene)methyl]amino]methyl]-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 3-[(diethylcarbamothioylamino)methyl]-5-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 3-[(diethylthiocarbamoylamino)methyl]-5-(5-thioxo-1H-1,2,4-triazol-4-yl)benzoic acid Formula: C15H19N5O2S2 MolecularWeight: 365.47366

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NCC1=CC(=CC(=C1)C(=O)O)N2C=NNC2=S

Isomeric SMILES

CCN(CC)C(=S)NCC1=CC(=CC(=C1)C(=O)O)N2C=NNC2=S

InChI

InChI=1S/C15H19N5O2S2/c1-3-19(4-2)14(23)16-8-10-5-11(13(21)22)7-12(6-10)20-9-17-18-15(20)24/h5-7,9H,3-4,8H2,1-2H3,(H,16,23)(H,18,24)(H,21,22)