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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C18H14N4OS2 MolecularWeight: 366.45996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N4OS2/c1-12-3-2-4-15(9-12)16(23)20-17-21-22-18(25-17)24-11-14-7-5-13(10-19)6-8-14/h2-9H,11H2,1H3,(H,20,21,23)