N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C19H16N6OS2 MolecularWeight: 408.49994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6OS2/c1-12(14-4-2-13(10-20)3-5-14)21-19(27)23-16-8-6-15(7-9-16)22-18(26)17-11-28-25-24-17/h2-9,11-12H,1H3,(H,22,26)(H2,21,23,27)