5-[(4-bromanylpyrazol-1-yl)methyl]-N-[1-(phenylmethyl)pyrazol-3-yl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(4-bromanylpyrazol-1-yl)methyl]-N-[1-(phenylmethyl)pyrazol-3-yl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(1-benzylpyrazol-3-yl)-5-[(4-bromopyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(4-bromo-1-pyrazolyl)methyl]-N-[1-(phenylmethyl)-3-pyrazolyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(1-benzylpyrazol-3-yl)-5-[(4-bromopyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: (1-benzylpyrazol-3-yl)-[5-[(4-bromopyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]amine Formula: C16H14BrN7S MolecularWeight: 416.29826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=N2)NC3=NN=C(S3)CN4C=C(C=N4)Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=N2)NC3=NN=C(S3)CN4C=C(C=N4)Br

InChI

InChI=1S/C16H14BrN7S/c17-13-8-18-24(10-13)11-15-20-21-16(25-15)19-14-6-7-23(22-14)9-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H,19,21,22)