O-(phenylmethyl) N-(5-phenyl-1,3,4-thiadiazol-2-yl)carbamothioate

Systemtic Name: O-(phenylmethyl) N-(5-phenyl-1,3,4-thiadiazol-2-yl)carbamothioate Openeye Name: O-benzyl N-(5-phenyl-1,3,4-thiadiazol-2-yl)carbamothioate CAS Name: N-(5-phenyl-1,3,4-thiadiazol-2-yl)carbamothioic acid O-(phenylmethyl) ester IUPAC Name: O-benzyl N-(5-phenyl-1,3,4-thiadiazol-2-yl)carbamothioate Traditional Name: N-(5-phenyl-1,3,4-thiadiazol-2-yl)thiocarbamic acid O-benzyl ester Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=S)NC2=NN=C(S2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=S)NC2=NN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C16H13N3OS2/c21-16(20-11-12-7-3-1-4-8-12)17-15-19-18-14(22-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19,21)