N-[4-[2-(3-bromophenyl)sulfanylethylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[2-(3-bromophenyl)sulfanylethylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[2-(3-bromophenyl)sulfanylethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[2-[(3-bromophenyl)thio]ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[2-(3-bromophenyl)sulfanylethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[2-[(3-bromophenyl)thio]ethylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C18H16BrN5OS3 MolecularWeight: 494.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5OS3/c19-12-2-1-3-15(10-12)27-9-8-20-18(26)22-14-6-4-13(5-7-14)21-17(25)16-11-28-24-23-16/h1-7,10-11H,8-9H2,(H,21,25)(H2,20,22,26)