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

Systemtic Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide Openeye Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide CAS Name: N-[5-(1-benzotriazolylmethyl)-1,3,4-thiadiazol-2-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide IUPAC Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide Traditional Name: N-[5-(benzotriazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide Formula: C21H18N8OS MolecularWeight: 430.48562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)N(C2=NN=C(S2)CN3C4=CC=CC=C4N=N3)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1)C)N(C2=NN=C(S2)CN3C4=CC=CC=C4N=N3)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H18N8OS/c1-13-19(14(2)23-22-13)29(20(30)15-8-4-3-5-9-15)21-26-25-18(31-21)12-28-17-11-7-6-10-16(17)24-27-28/h3-11H,12H2,1-2H3,(H,22,23)