(5Z)-2-(3-chlorophenyl)-N-methyl-5-(phenylcarbamothioylimino)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: (5Z)-2-(3-chlorophenyl)-N-methyl-5-(phenylcarbamothioylimino)-1,2,3-thiadiazole-4-carboxamide Openeye Name: (5Z)-2-(3-chlorophenyl)-N-methyl-5-(phenylcarbamothioylimino)thiadiazole-4-carboxamide CAS Name: (5Z)-5-[anilino(sulfanylidene)methyl]imino-2-(3-chlorophenyl)-N-methyl-4-thiadiazolecarboxamide IUPAC Name: (5Z)-2-(3-chlorophenyl)-N-methyl-5-(phenylcarbamothioylimino)thiadiazole-4-carboxamide Traditional Name: (5Z)-2-(3-chlorophenyl)-N-methyl-5-(phenylthiocarbamoylimino)thiadiazole-4-carboxamide Formula: C17H14ClN5OS2 MolecularWeight: 403.90896

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(SC1=NC(=S)NC2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CNC(=O)C\1=NN(S/C1=N\C(=S)NC2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H14ClN5OS2/c1-19-15(24)14-16(21-17(25)20-12-7-3-2-4-8-12)26-23(22-14)13-9-5-6-11(18)10-13/h2-10H,1H3,(H,19,24)(H,20,25)/b21-16-