3-(benzotriazol-1-yl)-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 3-(benzotriazol-1-yl)-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-(1-benzotriazolyl)-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N6OS/c1-21(2,3)15-10-8-14(9-11-15)19-24-25-20(29-19)22-18(28)12-13-27-17-7-5-4-6-16(17)23-26-27/h4-11H,12-13H2,1-3H3,(H,22,25,28)