3-phenyl-N-[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-phenyl-N-[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-[5-[(4-isopropylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: 3-phenyl-N-[5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-phenyl-N-[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: N-[5-[(4-isopropylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3OS2/c1-15(2)18-11-8-17(9-12-18)14-26-21-24-23-20(27-21)22-19(25)13-10-16-6-4-3-5-7-16/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,22,23,25)