5-(1-adamantylmethylsulfanyl)-N-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(1-adamantylmethylsulfanyl)-N-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(1-adamantylmethylsulfanyl)-N-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1-adamantylmethylthio)-N-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1-adamantylmethylsulfanyl)-N-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(1-adamantylmethylthio)-1,3,4-thiadiazol-2-yl]-(2,4-dimethylphenyl)amine Formula: C21H27N3S2 MolecularWeight: 385.58918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NN=C(S2)SCC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NN=C(S2)SCC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C21H27N3S2/c1-13-3-4-18(14(2)5-13)22-19-23-24-20(26-19)25-12-21-9-15-6-16(10-21)8-17(7-15)11-21/h3-5,15-17H,6-12H2,1-2H3,(H,22,23)