S-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl] benzenecarbothioate

Systemtic Name: S-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl] benzenecarbothioate Openeye Name: S-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl] ester IUPAC Name: S-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl] ester Formula: C11H10N2OS2 MolecularWeight: 250.3399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(S1)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2OS2/c1-8-12-13-10(16-8)7-15-11(14)9-5-3-2-4-6-9/h2-6H,7H2,1H3