N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-yl)propanamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-yl)propanamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-yl)propanamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-yl)propanamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-yl)propanamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-(1H-indol-3-yl)propionamide Formula: C21H17N5OS2 MolecularWeight: 419.52258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H17N5OS2/c22-11-14-5-7-15(8-6-14)13-28-21-26-25-20(29-21)24-19(27)10-9-16-12-23-18-4-2-1-3-17(16)18/h1-8,12,23H,9-10,13H2,(H,24,25,27)