N-[6-[1-(4-fluorophenyl)ethylcarbamothioylamino]pyridin-3-yl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[6-[1-(4-fluorophenyl)ethylcarbamothioylamino]pyridin-3-yl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[6-[1-(4-fluorophenyl)ethylcarbamothioylamino]-3-pyridyl]thiadiazole-4-carboxamide CAS Name: N-[6-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-3-pyridinyl]-4-thiadiazolecarboxamide IUPAC Name: N-[6-[1-(4-fluorophenyl)ethylcarbamothioylamino]pyridin-3-yl]thiadiazole-4-carboxamide Traditional Name: N-[6-[1-(4-fluorophenyl)ethylthiocarbamoylamino]-3-pyridyl]thiadiazole-4-carboxamide Formula: C17H15FN6OS2 MolecularWeight: 402.469003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)NC2=NC=C(C=C2)NC(=O)C3=CSN=N3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)NC2=NC=C(C=C2)NC(=O)C3=CSN=N3

InChI

InChI=1S/C17H15FN6OS2/c1-10(11-2-4-12(18)5-3-11)20-17(26)22-15-7-6-13(8-19-15)21-16(25)14-9-27-24-23-14/h2-10H,1H3,(H,21,25)(H2,19,20,22,26)