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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(methylsulfonylmethyl)benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(methylsulfonylmethyl)benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-(methylsulfonylmethyl)benzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(methylsulfonylmethyl)benzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-(mesylmethyl)benzamide Formula: C19H16N4O3S3 MolecularWeight: 444.55034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O3S3/c1-29(25,26)12-15-3-2-4-16(9-15)17(24)21-18-22-23-19(28-18)27-11-14-7-5-13(10-20)6-8-14/h2-9H,11-12H2,1H3,(H,21,22,24)