N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-(1-benzotriazolylmethyl)benzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-(benzotriazol-1-ylmethyl)benzamide Formula: C26H26N6OS MolecularWeight: 470.58924

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5=CC=C(C=C5)CN6C7=CC=CC=C7N=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5=CC=C(C=C5)CN6C7=CC=CC=C7N=N6

InChI

InChI=1S/C26H26N6OS/c33-23(20-7-5-16(6-8-20)15-32-22-4-2-1-3-21(22)28-31-32)27-25-30-29-24(34-25)26-12-17-9-18(13-26)11-19(10-17)14-26/h1-8,17-19H,9-15H2,(H,27,30,33)