N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3OS2/c1-13-3-2-4-14(5-13)12-26-20-24-23-19(27-20)22-18(25)21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,15-17H,6-12H2,1H3,(H,22,23,25)