4-[2-[[4-bromanyl-3-(5-bromanylthiophen-2-yl)-1H-pyrazol-5-yl]methylamino]pyridin-4-yl]-3-methyl-benzenecarbonitrile

Systemtic Name: 4-[2-[[4-bromanyl-3-(5-bromanylthiophen-2-yl)-1H-pyrazol-5-yl]methylamino]pyridin-4-yl]-3-methyl-benzenecarbonitrile Openeye Name: 4-[2-[[4-bromo-3-(5-bromo-2-thienyl)-1H-pyrazol-5-yl]methylamino]-4-pyridyl]-3-methyl-benzonitrile CAS Name: 4-[2-[[4-bromo-3-(5-bromo-2-thiophenyl)-1H-pyrazol-5-yl]methylamino]-4-pyridinyl]-3-methylbenzonitrile IUPAC Name: 4-[2-[[4-bromo-3-(5-bromothiophen-2-yl)-1H-pyrazol-5-yl]methylamino]pyridin-4-yl]-3-methylbenzonitrile Traditional Name: 4-[2-[[4-bromo-3-(5-bromo-2-thienyl)-1H-pyrazol-5-yl]methylamino]-4-pyridyl]-3-methyl-benzonitrile Formula: C21H15Br2N5S MolecularWeight: 529.2503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)C2=CC(=NC=C2)NCC3=C(C(=NN3)C4=CC=C(S4)Br)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2=CC(=NC=C2)NCC3=C(C(=NN3)C4=CC=C(S4)Br)Br

InChI

InChI=1S/C21H15Br2N5S/c1-12-8-13(10-24)2-3-15(12)14-6-7-25-19(9-14)26-11-16-20(23)21(28-27-16)17-4-5-18(22)29-17/h2-9H,11H2,1H3,(H,25,26)(H,27,28)