4-(benzotriazol-1-ylmethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H22N6OS MolecularWeight: 406.50398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N6OS/c1-3-15(4-2)20-24-25-21(29-20)22-19(28)16-11-9-14(10-12-16)13-27-18-8-6-5-7-17(18)23-26-27/h5-12,15H,3-4,13H2,1-2H3,(H,22,25,28)