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

Systemtic Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-bromanyl-N-ethyl-benzamide Openeye Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-bromo-N-ethyl-benzamide CAS Name: N-[5-(1-benzotriazolylmethyl)-1,3,4-thiadiazol-2-yl]-4-bromo-N-ethylbenzamide IUPAC Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-bromo-N-ethylbenzamide Traditional Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-bromo-N-ethyl-benzamide Formula: C18H15BrN6OS MolecularWeight: 443.3203

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NN=C(S1)CN2C3=CC=CC=C3N=N2)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(C1=NN=C(S1)CN2C3=CC=CC=C3N=N2)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H15BrN6OS/c1-2-24(17(26)12-7-9-13(19)10-8-12)18-22-21-16(27-18)11-25-15-6-4-3-5-14(15)20-23-25/h3-10H,2,11H2,1H3