N-[4-(2-pyridin-3-ylethylcarbamothioylamino)phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-(2-pyridin-3-ylethylcarbamothioylamino)phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[2-(3-pyridyl)ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[2-(3-pyridinyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-(2-pyridin-3-ylethylcarbamothioylamino)phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[2-(3-pyridyl)ethylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C17H16N6OS2 MolecularWeight: 384.47854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6OS2/c24-16(15-11-26-23-22-15)20-13-3-5-14(6-4-13)21-17(25)19-9-7-12-2-1-8-18-10-12/h1-6,8,10-11H,7,9H2,(H,20,24)(H2,19,21,25)