N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-adamantane-1-carboxamide

Systemtic Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-adamantane-1-carboxamide Openeye Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-adamantane-1-carboxamide CAS Name: N-[5-(1-benzotriazolylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-1-adamantanecarboxamide IUPAC Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyladamantane-1-carboxamide Traditional Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-ethyl-adamantane-1-carboxamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NN=C(S1)CN2C3=CC=CC=C3N=N2)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN(C1=NN=C(S1)CN2C3=CC=CC=C3N=N2)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H26N6OS/c1-2-27(20(29)22-10-14-7-15(11-22)9-16(8-14)12-22)21-25-24-19(30-21)13-28-18-6-4-3-5-17(18)23-26-28/h3-6,14-16H,2,7-13H2,1H3