N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethyl-benzamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethyl-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethyl-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethylbenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3,4-dimethyl-benzamide Formula: C19H16N4OS2 MolecularWeight: 380.48654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C19H16N4OS2/c1-12-3-8-16(9-13(12)2)17(24)21-18-22-23-19(26-18)25-11-15-6-4-14(10-20)5-7-15/h3-9H,11H2,1-2H3,(H,21,22,24)